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Ipconazole

UUID 7e80c575-4e18-4144-9f67-9987e343ea12
Flow Object IDfo-efcc97b740488559
Source EF 3.1
Context Environmental → Air → Ground level → Urban (>1000 people/square mile)
CAS Numbers 125225-28-7
EC Numbers 603-038-1
prefLabel ⓘ
Language Value Provenance
en Ipconazole
altLabel ⓘ
Language Value Provenance
en 2-((4-chlorophenyl)methyl)-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol
en 2-(4-chlorobenzyl)-5-isopropyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol
en 2-[(4-chlorophenyl)methyl]-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol
en 2-[(4-Chlorophenyl)methyl]-5-(1-methylethyl)-1-(1<em>H</em>-1,2,4-triazol-1-ylmethyl)cyclopentanol
en Cyclopentanol, 2-[(4-chlorophenyl)methyl]-5-(1-methylethyl)-1-(1<em>H</em>-1,2,4-triazol-1-ylmethyl)-
en Lumiflex
en Rancona
en Vortex
en Vortex (fungicide)
en Vortex FL
Definitions
Language Value Provenance
en A member of the class of cyclopentanols carrying 1,2,4-triazol-1-ylmethyl, 4-chlorobenzyl and isopropyl substituents at positions 1, 2 and 5 respectively. Used to control a range of seed diseases in rice, vegetables and other, mainly non-food, crops.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey QTYCMDBMOLSEAM-UHFFFAOYSA-N
InChI InChI=1S/C18H24ClN3O/c1-13(2)17-8-5-15(9-14-3-6-16(19)7-4-14)18(17,23)10-22-12-20-11-21-22/h3-4,6-7,11-13,15,17,23H,5,8-10H2,1-2H3
IUPAC name 2-(4-chlorobenzyl)-5-isopropyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentanol, 2-[(4-chlorophenyl)methyl]-5-isopropyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentanol, 2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)-1-cyclopentanol, 2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
Molecular formula C18H24ClN3O
Molecular mass 333.863
Monoisotopic mass 333.16079
SMILES CC(C)C1CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl, CC(C)C1CCC(Cc2ccc(Cl)cc2)C1(O)Cn1cncn1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 7e80c575-4e18-4144-9f67-9987e343ea12 ipconazole (iso); (1rs,2sr,5rs;1rs,2sr,5sr)-2-(4-chlorobenzyl)-5-isopropyl-1-(1h-1,2,4-triazol-1-ylmethyl)cyclopentanol

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 ipconazole (iso); (1rs,2sr,5rs;1rs,2sr,5sr)-2-(4-chlorobenzyl)-5-isopropyl-1-(1h-1,2,4-triazol-1-ylmethyl)cyclopentanol Emissions/Emissions to air/Emissions to urban air close to ground kg exactMatch —

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 2 — consensus_match group_key=ipconazole(iso);(1rs,2sr,5rs;1rs,2sr,5sr)-2-(4-chlorobenzyl)-5-isopropyl-1-(1h-1,2,4-triazol-1-ylmethyl)cyclopentanol||dimension=Environmental > media=Water > water_body=Unknown; cas=125225-28-7; added Common Chemistry CAS names as altLabel: 2-[(4-Chlorophenyl)methyl]-5-(1-methylethyl)-1-(1<em>H</em>-1,2,4-triazol-1-ylmethyl)cyclopentanol, Cyclopentanol, 2-[(4-chlorophenyl)methyl]-5-(1-methylethyl)-1-(1<em>H</em>-1,2,4-triazol-1-ylmethyl)-, Lumiflex, Rancona, Vortex, Vortex (fungicide), Vortex FL; object_uuid=fo-efcc97b740488559
cas_match_labels 1 — consensus_match group_key=ipconazole(iso);(1rs,2sr,5rs;1rs,2sr,5sr)-2-(4-chlorobenzyl)-5-isopropyl-1-(1h-1,2,4-triazol-1-ylmethyl)cyclopentanol||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'pubchem']; cas_sources={'125225-28-7': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-efcc97b740488559: {'125225-28-7': 'exactMatch'}
prefLabel 1 — consensus_match cas=125225-28-7; cc_chebi_agreed_name='Ipconazole'; object_uuid=fo-efcc97b740488559

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataGround level
population_densityUrban (>1000 people/square mile)

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': 'Ipconazole (iso); (1rs,2sr,5rs;1rs,2sr,5sr)-2-(4-chlorobenzyl)-5-isopropyl-1-(1h-1,2,4-triazol-1-ylmethyl)cyclopentanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'Ipconazole', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:125225-28-7'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=125225-28-7; cc_chebi_agreed_name='Ipconazole'; object_uuid=fo-efcc97b740488559
altLabel [{'@value': '2-((4-chlorophenyl)methyl)-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-((4-chlorophenyl)methyl)-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol', 'http://purl.obolibrary.org/obo/CHEBI_81770', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-(4-chlorobenzyl)-5-isopropyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-(4-chlorobenzyl)-5-isopropyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol', 'http://purl.obolibrary.org/obo/CHEBI_81770', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-[(4-chlorophenyl)methyl]-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-[(4-chlorophenyl)methyl]-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol', 'http://purl.obolibrary.org/obo/CHEBI_81770', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '2-((4-chlorophenyl)methyl)-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-((4-chlorophenyl)methyl)-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol', 'http://purl.obolibrary.org/obo/CHEBI_81770', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-(4-chlorobenzyl)-5-isopropyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-(4-chlorobenzyl)-5-isopropyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol', 'http://purl.obolibrary.org/obo/CHEBI_81770', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-[(4-chlorophenyl)methyl]-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-[(4-chlorophenyl)methyl]-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol', 'http://purl.obolibrary.org/obo/CHEBI_81770', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Ipconazole (iso); (1rs,2sr,5rs;1rs,2sr,5sr)-2-(4-chlorobenzyl)-5-isopropyl-1-(1h-1,2,4-triazol-1-ylmethyl)cyclopentanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] cas=125225-28-7; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-efcc97b740488559
altLabel [{'@value': '2-((4-chlorophenyl)methyl)-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-((4-chlorophenyl)methyl)-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol', 'http://purl.obolibrary.org/obo/CHEBI_81770', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-(4-chlorobenzyl)-5-isopropyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-(4-chlorobenzyl)-5-isopropyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol', 'http://purl.obolibrary.org/obo/CHEBI_81770', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-[(4-chlorophenyl)methyl]-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-[(4-chlorophenyl)methyl]-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol', 'http://purl.obolibrary.org/obo/CHEBI_81770', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Ipconazole (iso); (1rs,2sr,5rs;1rs,2sr,5sr)-2-(4-chlorobenzyl)-5-isopropyl-1-(1h-1,2,4-triazol-1-ylmethyl)cyclopentanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] [{'@value': '2-((4-chlorophenyl)methyl)-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-((4-chlorophenyl)methyl)-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol', 'http://purl.obolibrary.org/obo/CHEBI_81770', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-(4-chlorobenzyl)-5-isopropyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-(4-chlorobenzyl)-5-isopropyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol', 'http://purl.obolibrary.org/obo/CHEBI_81770', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-[(4-chlorophenyl)methyl]-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-[(4-chlorophenyl)methyl]-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol', 'http://purl.obolibrary.org/obo/CHEBI_81770', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-[(4-Chlorophenyl)methyl]-5-(1-methylethyl)-1-(1<em>H</em>-1,2,4-triazol-1-ylmethyl)cyclopentanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:125225-28-7', 'https://commonchemistry.cas.org/detail?cas_rn=125225-28-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyclopentanol, 2-[(4-chlorophenyl)methyl]-5-(1-methylethyl)-1-(1<em>H</em>-1,2,4-triazol-1-ylmethyl)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:125225-28-7', 'https://commonchemistry.cas.org/detail?cas_rn=125225-28-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Lumiflex', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:125225-28-7', 'https://commonchemistry.cas.org/detail?cas_rn=125225-28-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Rancona', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:125225-28-7', 'https://commonchemistry.cas.org/detail?cas_rn=125225-28-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Vortex', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:125225-28-7', 'https://commonchemistry.cas.org/detail?cas_rn=125225-28-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Vortex (fungicide)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:125225-28-7', 'https://commonchemistry.cas.org/detail?cas_rn=125225-28-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Vortex FL', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:125225-28-7', 'https://commonchemistry.cas.org/detail?cas_rn=125225-28-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=ipconazole(iso);(1rs,2sr,5rs;1rs,2sr,5sr)-2-(4-chlorobenzyl)-5-isopropyl-1-(1h-1,2,4-triazol-1-ylmethyl)cyclopentanol||dimension=Environmental > media=Water > water_body=Unknown; cas=125225-28-7; added Common Chemistry CAS names as altLabel: 2-[(4-Chlorophenyl)methyl]-5-(1-methylethyl)-1-(1<em>H</em>-1,2,4-triazol-1-ylmethyl)cyclopentanol, Cyclopentanol, 2-[(4-chlorophenyl)methyl]-5-(1-methylethyl)-1-(1<em>H</em>-1,2,4-triazol-1-ylmethyl)-, Lumiflex, Rancona, Vortex, Vortex (fungicide), Vortex FL; object_uuid=fo-efcc97b740488559
cas_match_labels None {'125225-28-7': 'exactMatch'} group_key=ipconazole(iso);(1rs,2sr,5rs;1rs,2sr,5sr)-2-(4-chlorobenzyl)-5-isopropyl-1-(1h-1,2,4-triazol-1-ylmethyl)cyclopentanol||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'pubchem']; cas_sources={'125225-28-7': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-efcc97b740488559: {'125225-28-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "7e80c575-4e18-4144-9f67-9987e343ea12",
  "name": null,
  "cas_numbers": [
    "125225-28-7"
  ],
  "ec_numbers": [
    "603-038-1"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Ground level",
    "population_density": "Urban (>1000 people/square mile)"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
    {
      "method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 52980.0
    },
    {
      "method_uuid": "7cfdcfcf-b222-4b26-888a-a55f9fbf7ac8",
      "name": "Human toxicity, non-cancer",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 5.8037e-6
    },
    {
      "method_uuid": "8c3141e9-1f15-43b5-bff2-182e49893a46",
      "name": "Human toxicity, non-cancer_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 5.8037e-6
    },
    {
      "method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 52980.0
    }
  ],
  "source": "EF 3.1",
  "identifier": "7e80c575-4e18-4144-9f67-9987e343ea12",
  "input_datasets": [
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      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
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          "Emissions to air",
          "Emissions to urban air close to ground"
        ]
      }
    }
  ],
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      "rdfs:label": "Molecular formula",
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    "https://w3id.org/chemrof/inchi2d_string": {
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