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Dimethomorph E

UUID 64b1ce48-6556-11dd-ad8b-0800200c9a66
Flow Object IDfo-29a21e0815040222
Source EF 3.1
Context Environmental → Air → Aircraft cruise height
CAS Numbers 110488-70-5
EC Numbers 404-200-2
prefLabel
Language Value Provenance
en Dimethomorph E
altLabel ⓘ
Language Value Provenance
en (2Xi)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(morpholin-4-yl)prop-2-en-1-one
en 4-(3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)morpholine
en 2-Propen-1-one, 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-
en 3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-2-propen-1-one
en Acrobat
en Akrobat
en Athlete
en CME 151
en Festival C
en Forum
en Forum (biocide)
en Morpholine, 4-[3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl]-
en Xixianmalin
en Dimethomorph
Definitions
Language Value Provenance
en A mixture of (E)- and (Z)-dimethomorph in an unspecified ratio. It is used as a systemic fungicide used on vines, potatoes, and greenhouse crops; only the Z isomer has fungicidal activity.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey QNBTYORWCCMPQP-NBVRZTHBSA-N, QNBTYORWCCMPQP-UHFFFAOYSA-N
InChI InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3, InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14+
IUPAC name (E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-2-propen-1-one, (E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-yl-prop-2-en-1-one, (E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one, (E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholino-prop-2-en-1-one
Molecular formula C21H22ClNO4
Molecular mass 387.863
Monoisotopic mass 387.12374
SMILES COC1=C(C=C(C=C1)/C(=C/C(=O)N2CCOCC2)/C3=CC=C(C=C3)Cl)OC, COC1=C(C=C(C=C1)C(=CC(=O)N2CCOCC2)C3=CC=C(C=C3)Cl)OC, [H]C(C(=O)N1CCOCC1)=C(c1ccc(Cl)cc1)c1ccc(OC)c(OC)c1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 64b1ce48-6556-11dd-ad8b-0800200c9a66 dimethomorph

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 dimethomorph Emissions/Emissions to air/Emissions to lower stratosphere and upper troposphere kg exactMatch —

Consolidated Field Provenance

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

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=dimethomorph||dimension=Environmental > media=Air > strata=Unknown; cas=110488-70-5; added Common Chemistry CAS names as altLabel: 2-Propen-1-one, 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-, 3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-2-propen-1-one, Acrobat, Akrobat, Athlete, CME 151, Festival C, Forum, Forum (biocide), Morpholine, 4-[3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl]-, Xixianmalin; object_uuid=fo-29a21e0815040222
cas_match_labels 1 — consensus_match group_key=dimethomorph||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'pubchem']; cas_sources={'110488-70-5': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-29a21e0815040222: {'110488-70-5': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataAircraft cruise height

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '(2Xi)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(morpholin-4-yl)prop-2-en-1-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(2Xi)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(morpholin-4-yl)prop-2-en-1-one', 'http://purl.obolibrary.org/obo/CHEBI_81848', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-(3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)morpholine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-(3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)morpholine', 'http://purl.obolibrary.org/obo/CHEBI_81848', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '(2Xi)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(morpholin-4-yl)prop-2-en-1-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(2Xi)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(morpholin-4-yl)prop-2-en-1-one', 'http://purl.obolibrary.org/obo/CHEBI_81848', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-(3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)morpholine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-(3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)morpholine', 'http://purl.obolibrary.org/obo/CHEBI_81848', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-Propen-1-one, 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:110488-70-5', 'https://commonchemistry.cas.org/detail?cas_rn=110488-70-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-2-propen-1-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:110488-70-5', 'https://commonchemistry.cas.org/detail?cas_rn=110488-70-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acrobat', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:110488-70-5', 'https://commonchemistry.cas.org/detail?cas_rn=110488-70-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Akrobat', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:110488-70-5', 'https://commonchemistry.cas.org/detail?cas_rn=110488-70-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Athlete', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:110488-70-5', 'https://commonchemistry.cas.org/detail?cas_rn=110488-70-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'CME 151', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:110488-70-5', 'https://commonchemistry.cas.org/detail?cas_rn=110488-70-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Festival C', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:110488-70-5', 'https://commonchemistry.cas.org/detail?cas_rn=110488-70-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Forum', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:110488-70-5', 'https://commonchemistry.cas.org/detail?cas_rn=110488-70-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Forum (biocide)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:110488-70-5', 'https://commonchemistry.cas.org/detail?cas_rn=110488-70-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Morpholine, 4-[3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl]-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:110488-70-5', 'https://commonchemistry.cas.org/detail?cas_rn=110488-70-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Xixianmalin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:110488-70-5', 'https://commonchemistry.cas.org/detail?cas_rn=110488-70-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=dimethomorph||dimension=Environmental > media=Air > strata=Unknown; cas=110488-70-5; added Common Chemistry CAS names as altLabel: 2-Propen-1-one, 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-, 3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-2-propen-1-one, Acrobat, Akrobat, Athlete, CME 151, Festival C, Forum, Forum (biocide), Morpholine, 4-[3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl]-, Xixianmalin; object_uuid=fo-29a21e0815040222
cas_match_labels None {'110488-70-5': 'exactMatch'} group_key=dimethomorph||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'pubchem']; cas_sources={'110488-70-5': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-29a21e0815040222: {'110488-70-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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      "characterization_factor": 263.6
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      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 2.203e-7
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