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Pyrethrin I

UUID 4ab7c04e-899f-48e5-9ce2-10a581f85927
Flow Object IDfo-4aa7c378cc8c7cd8
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 121-21-1
EC Numbers 204-455-8
prefLabel
Language Value Provenance
en Pyrethrin I
altLabel
Language Value Provenance
en (1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dien-1-yl]cyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate
en chrysanthemum monocarboxylic acid pyrethrolone ester
en (+)-Pyrethronyl (+)-<em>trans</em>-chrysanthemate
en Chrysanthemummonocarboxylic acid pyrethrolone ester
en Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, (1<em>S</em>)-2-methyl-4-oxo-3-(2<em>Z</em>)-2,4-pentadien-1-yl-2-cyclopenten-1-yl ester, (1<em>R</em>,3<em>R</em>)-
en Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1<em>S</em>)-2-methyl-4-oxo-3-(2<em>Z</em>)-2,4-pentadienyl-2-cyclopenten-1-yl ester, (1<em>R</em>,3<em>R</em>)-
en Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2,4-pentadienyl)-2-cyclopenten-1-yl ester, [1<em>R</em>-[1α[<em>S</em>*(<em>Z</em>)],3β]]-
en Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, ester with 4-hydroxy-3-methyl-2-(2,4-pentadienyl)-2-cyclopenten-1-one
en Pyrethrin 1
en Pyrethrin A
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey ROVGZAWFACYCSP-VUMXUWRFSA-N
InChI InChI=1S/C21H28O3/c1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8-/t16-,18+,19+/m1/s1
IUPAC name cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxylic acid [(1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dienyl]-1-cyclopent-2-enyl] ester, cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid [(1S)-4-keto-2-methyl-3-[(2Z)-penta-2,4-dienyl]cyclopent-2-en-1-yl] ester, cis-[(1S)-2-methyl-4-oxidanylidene-3-[(2Z)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate, cis-[(1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate, cis-[(1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate
Molecular formula C21H28O3
Molecular mass 328.452
Monoisotopic mass 328.20384
SMILES C=C/C=CCC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1=O, CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=CC=C, CC1=C(C(=O)C[C@@H]1OC(=O)[C@@H]2[C@H](C2(C)C)C=C(C)C)C/C=C\C=C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 4ab7c04e-899f-48e5-9ce2-10a581f85927 2-methyl-4-oxo-3-(penta-2,4-dienyl)cyclopent-2-enyl [1R-[1α[S*(Z)],3β]]-chrysanthemate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 2-methyl-4-oxo-3-(penta-2,4-dienyl)cyclopent-2-enyl [1R-[1α[S*(Z)],3β]]-chrysanthemate Emissions/Emissions to water/Emissions to water, unspecified 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=2-methyl-4-oxo-3-(penta-2,4-dienyl)cyclopent-2-enyl[1r-[1α[s*(z)],3β]]-chrysanthemate||dimension=Environmental > media=Water > water_body=Surface water; cas=121-21-1; added Common Chemistry CAS names as altLabel: (+)-Pyrethronyl (+)-<em>trans</em>-chrysanthemate, Chrysanthemummonocarboxylic acid pyrethrolone ester, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, (1<em>S</em>)-2-methyl-4-oxo-3-(2<em>Z</em>)-2,4-pentadien-1-yl-2-cyclopenten-1-yl ester, (1<em>R</em>,3<em>R</em>)-, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1<em>S</em>)-2-methyl-4-oxo-3-(2<em>Z</em>)-2,4-pentadienyl-2-cyclopenten-1-yl ester, (1<em>R</em>,3<em>R</em>)-, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2,4-pentadienyl)-2-cyclopenten-1-yl ester, [1<em>R</em>-[1α[<em>S</em>*(<em>Z</em>)],3β]]-, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, ester with 4-hydroxy-3-methyl-2-(2,4-pentadienyl)-2-cyclopenten-1-one, Pyrethrin 1, Pyrethrin A; object_uuid=fo-4aa7c378cc8c7cd8
cas_match_labels 1 consensus_match group_key=2-methyl-4-oxo-3-(penta-2,4-dienyl)cyclopent-2-enyl[1r-[1α[s*(z)],3β]]-chrysanthemate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory']; cas_sources={'121-21-1': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-4aa7c378cc8c7cd8: {'121-21-1': 'exactMatch'}
prefLabel 1 consensus_match cas=121-21-1; cc_chebi_agreed_name='Pyrethrin I'; object_uuid=fo-4aa7c378cc8c7cd8

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': '2-methyl-4-oxo-3-(penta-2,4-dienyl)cyclopent-2-enyl [1R-[1α[S*(Z)],3β]]-chrysanthemate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'Pyrethrin I', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:121-21-1'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=121-21-1; cc_chebi_agreed_name='Pyrethrin I'; object_uuid=fo-4aa7c378cc8c7cd8
altLabel [{'@value': '(1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dien-1-yl]cyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dien-1-yl]cyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate', 'http://purl.obolibrary.org/obo/CHEBI_27815', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Pyrethrin I', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Pyrethrin I', 'http://purl.obolibrary.org/obo/CHEBI_27815', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'chrysanthemum monocarboxylic acid pyrethrolone ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:chrysanthemum monocarboxylic acid pyrethrolone ester', 'http://purl.obolibrary.org/obo/CHEBI_27815', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '(1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dien-1-yl]cyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dien-1-yl]cyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate', 'http://purl.obolibrary.org/obo/CHEBI_27815', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'chrysanthemum monocarboxylic acid pyrethrolone ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:chrysanthemum monocarboxylic acid pyrethrolone ester', 'http://purl.obolibrary.org/obo/CHEBI_27815', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-methyl-4-oxo-3-(penta-2,4-dienyl)cyclopent-2-enyl [1R-[1α[S*(Z)],3β]]-chrysanthemate', '@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=121-21-1; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-4aa7c378cc8c7cd8
altLabel [{'@value': '(1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dien-1-yl]cyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dien-1-yl]cyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate', 'http://purl.obolibrary.org/obo/CHEBI_27815', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'chrysanthemum monocarboxylic acid pyrethrolone ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:chrysanthemum monocarboxylic acid pyrethrolone ester', 'http://purl.obolibrary.org/obo/CHEBI_27815', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-methyl-4-oxo-3-(penta-2,4-dienyl)cyclopent-2-enyl [1R-[1α[S*(Z)],3β]]-chrysanthemate', '@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': '(1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dien-1-yl]cyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dien-1-yl]cyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate', 'http://purl.obolibrary.org/obo/CHEBI_27815', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'chrysanthemum monocarboxylic acid pyrethrolone ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:chrysanthemum monocarboxylic acid pyrethrolone ester', 'http://purl.obolibrary.org/obo/CHEBI_27815', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(+)-Pyrethronyl (+)-<em>trans</em>-chrysanthemate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:121-21-1', 'https://commonchemistry.cas.org/detail?cas_rn=121-21-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Chrysanthemummonocarboxylic acid pyrethrolone ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:121-21-1', 'https://commonchemistry.cas.org/detail?cas_rn=121-21-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, (1<em>S</em>)-2-methyl-4-oxo-3-(2<em>Z</em>)-2,4-pentadien-1-yl-2-cyclopenten-1-yl ester, (1<em>R</em>,3<em>R</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:121-21-1', 'https://commonchemistry.cas.org/detail?cas_rn=121-21-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1<em>S</em>)-2-methyl-4-oxo-3-(2<em>Z</em>)-2,4-pentadienyl-2-cyclopenten-1-yl ester, (1<em>R</em>,3<em>R</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:121-21-1', 'https://commonchemistry.cas.org/detail?cas_rn=121-21-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2,4-pentadienyl)-2-cyclopenten-1-yl ester, [1<em>R</em>-[1α[<em>S</em>*(<em>Z</em>)],3β]]-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:121-21-1', 'https://commonchemistry.cas.org/detail?cas_rn=121-21-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, ester with 4-hydroxy-3-methyl-2-(2,4-pentadienyl)-2-cyclopenten-1-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:121-21-1', 'https://commonchemistry.cas.org/detail?cas_rn=121-21-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pyrethrin 1', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:121-21-1', 'https://commonchemistry.cas.org/detail?cas_rn=121-21-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pyrethrin A', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:121-21-1', 'https://commonchemistry.cas.org/detail?cas_rn=121-21-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2-methyl-4-oxo-3-(penta-2,4-dienyl)cyclopent-2-enyl[1r-[1α[s*(z)],3β]]-chrysanthemate||dimension=Environmental > media=Water > water_body=Surface water; cas=121-21-1; added Common Chemistry CAS names as altLabel: (+)-Pyrethronyl (+)-<em>trans</em>-chrysanthemate, Chrysanthemummonocarboxylic acid pyrethrolone ester, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, (1<em>S</em>)-2-methyl-4-oxo-3-(2<em>Z</em>)-2,4-pentadien-1-yl-2-cyclopenten-1-yl ester, (1<em>R</em>,3<em>R</em>)-, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1<em>S</em>)-2-methyl-4-oxo-3-(2<em>Z</em>)-2,4-pentadienyl-2-cyclopenten-1-yl ester, (1<em>R</em>,3<em>R</em>)-, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2,4-pentadienyl)-2-cyclopenten-1-yl ester, [1<em>R</em>-[1α[<em>S</em>*(<em>Z</em>)],3β]]-, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, ester with 4-hydroxy-3-methyl-2-(2,4-pentadienyl)-2-cyclopenten-1-one, Pyrethrin 1, Pyrethrin A; object_uuid=fo-4aa7c378cc8c7cd8
cas_match_labels None {'121-21-1': 'exactMatch'} group_key=2-methyl-4-oxo-3-(penta-2,4-dienyl)cyclopent-2-enyl[1r-[1α[s*(z)],3β]]-chrysanthemate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory']; cas_sources={'121-21-1': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-4aa7c378cc8c7cd8: {'121-21-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
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  "name": null,
  "cas_numbers": [
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  "ec_numbers": [
    "204-455-8"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
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      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
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      "characterization_factor": 23905000.0
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    {
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      "name": "Ecotoxicity, freshwater_organics",
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      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 23905000.0
    }
  ],
  "source": "EF 3.1",
  "identifier": "4ab7c04e-899f-48e5-9ce2-10a581f85927",
  "input_datasets": [
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      "source_metadata": {
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  "properties": {
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      "@value": [
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      "rdfs:label": "Molecular formula",
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