caffeic acid, (Z)-

← Back to consensus flows

UUID fe0acd60-3ddc-11dd-ae44-0050c2490048

Flow Object ID fo-d26e564bbd9a372d

Source EF 3.1

Context Environmental → Ground → Agricultural

CAS Numbers 331-39-5

EC Numbers 206-361-2

prefLabel

Language	Value	Provenance
`en`	`caffeic acid, (Z)-`

altLabel ⓘ

Language	Value	Provenance
`en`	`(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid`
`en`	`(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid`
`en`	`3,4-Dihydroxy-trans-cinnamate`
`en`	`3,4-Dihydroxycinnamic acid`
`en`	`Caffeate`
`en`	`cis-Caffeic acid`
`en`	`trans-Caffeate`
`en`	`2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-`
`en`	`3,4-Dihydroxybenzeneacrylic acid`
`en`	`3,4-Dihydroxycinammic acid`
`en`	`3-(3,4-Dihydroxyphenyl)-2-propenoic acid`
`en`	`3-(3,4-Dihydroxyphenyl)propenoic acid`
`en`	`4-(2-Carboxyethenyl)-1,2-dihydroxybenzene`
`en`	`4-(2′-Carboxyvinyl)-1,2-dihydroxybenzene`
`en`	`Cinnamic acid, 3,4-dihydroxy-`
`en`	`DHCA`
`en`	`NSC 57197`
`en`	`NSC 623438`
`en`	`Caffeic Acid`

Definitions

Language	Value	Provenance
`en`	The cis-isomer of caffeic acid.
`en`	The trans-isomer of caffeic acid.

References

Shared Properties

Predicate	Value
Formal charge	`0`
InChIKey	`QAIPRVGONGVQAS-DUXPYHPUSA-N, QAIPRVGONGVQAS-RQOWECAXSA-N`
InChI	`InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+, InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2-`
IUPAC name	`(Z)-3-(3,4-dihydroxyphenyl)-2-propenoic acid, (Z)-3-(3,4-dihydroxyphenyl)acrylic acid, (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid, (Z)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoic acid`
Molecular formula	`C9H8O4`
Molecular mass	`180.159`
Monoisotopic mass	`180.04226`
SMILES	`C1=CC(=C(C=C1/C=C\C(=O)O)O)O, C1=CC(=C(C=C1C=CC(=O)O)O)O, O=C(O)/C=C/c1ccc(O)c(O)c1, O=C(O)/C=Cc1ccc(O)c(O)c1`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`fe0acd60-3ddc-11dd-ae44-0050c2490048`	caffeic acid

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	caffeic acid	Emissions/Emissions to soil/Emissions to agricultural soil	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=caffeicacid\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=331-39-5; added Common Chemistry CAS names as altLabel: 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 3,4-Dihydroxybenzeneacrylic acid, 3,4-Dihydroxycinammic acid, 3-(3,4-Dihydroxyphenyl)-2-propenoic acid, 3-(3,4-Dihydroxyphenyl)propenoic acid, 4-(2-Carboxyethenyl)-1,2-dihydroxybenzene, 4-(2′-Carboxyvinyl)-1,2-dihydroxybenzene, Cinnamic acid, 3,4-dihydroxy-, DHCA, NSC 57197, NSC 623438; object_uuid=fo-d26e564bbd9a372d
`cas_match_labels`	1	`—`	consensus_match	group_key=caffeicacid\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'331-39-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d26e564bbd9a372d: {'331-39-5': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Ground
geography	Agricultural

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	[{'@value': '(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid', 'http://purl.obolibrary.org/obo/CHEBI_16433', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid', 'http://purl.obolibrary.org/obo/CHEBI_17395', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,4-Dihydroxy-trans-cinnamate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,4-Dihydroxy-trans-cinnamate', 'http://purl.obolibrary.org/obo/CHEBI_16433', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,4-Dihydroxycinnamic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,4-Dihydroxycinnamic acid', 'http://purl.obolibrary.org/obo/CHEBI_16433', 'http://purl.obolibrary.org/obo/CHEBI_17395', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Caffeate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Caffeate', 'http://purl.obolibrary.org/obo/CHEBI_17395', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'cis-Caffeic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:cis-Caffeic acid', 'http://purl.obolibrary.org/obo/CHEBI_17395', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'trans-Caffeate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:trans-Caffeate', 'http://purl.obolibrary.org/obo/CHEBI_16433', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}]	[{'@value': '(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid', 'http://purl.obolibrary.org/obo/CHEBI_16433', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid', 'http://purl.obolibrary.org/obo/CHEBI_17395', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,4-Dihydroxy-trans-cinnamate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,4-Dihydroxy-trans-cinnamate', 'http://purl.obolibrary.org/obo/CHEBI_16433', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,4-Dihydroxycinnamic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,4-Dihydroxycinnamic acid', 'http://purl.obolibrary.org/obo/CHEBI_16433', 'http://purl.obolibrary.org/obo/CHEBI_17395', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Caffeate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Caffeate', 'http://purl.obolibrary.org/obo/CHEBI_17395', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'cis-Caffeic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:cis-Caffeic acid', 'http://purl.obolibrary.org/obo/CHEBI_17395', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'trans-Caffeate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:trans-Caffeate', 'http://purl.obolibrary.org/obo/CHEBI_16433', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:331-39-5', 'https://commonchemistry.cas.org/detail?cas_rn=331-39-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,4-Dihydroxybenzeneacrylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:331-39-5', 'https://commonchemistry.cas.org/detail?cas_rn=331-39-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,4-Dihydroxycinammic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:331-39-5', 'https://commonchemistry.cas.org/detail?cas_rn=331-39-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-(3,4-Dihydroxyphenyl)-2-propenoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:331-39-5', 'https://commonchemistry.cas.org/detail?cas_rn=331-39-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-(3,4-Dihydroxyphenyl)propenoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:331-39-5', 'https://commonchemistry.cas.org/detail?cas_rn=331-39-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-(2-Carboxyethenyl)-1,2-dihydroxybenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:331-39-5', 'https://commonchemistry.cas.org/detail?cas_rn=331-39-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-(2′-Carboxyvinyl)-1,2-dihydroxybenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:331-39-5', 'https://commonchemistry.cas.org/detail?cas_rn=331-39-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cinnamic acid, 3,4-dihydroxy-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:331-39-5', 'https://commonchemistry.cas.org/detail?cas_rn=331-39-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'DHCA', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:331-39-5', 'https://commonchemistry.cas.org/detail?cas_rn=331-39-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 57197', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:331-39-5', 'https://commonchemistry.cas.org/detail?cas_rn=331-39-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 623438', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:331-39-5', 'https://commonchemistry.cas.org/detail?cas_rn=331-39-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=caffeicacid\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=331-39-5; added Common Chemistry CAS names as altLabel: 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 3,4-Dihydroxybenzeneacrylic acid, 3,4-Dihydroxycinammic acid, 3-(3,4-Dihydroxyphenyl)-2-propenoic acid, 3-(3,4-Dihydroxyphenyl)propenoic acid, 4-(2-Carboxyethenyl)-1,2-dihydroxybenzene, 4-(2′-Carboxyvinyl)-1,2-dihydroxybenzene, Cinnamic acid, 3,4-dihydroxy-, DHCA, NSC 57197, NSC 623438; object_uuid=fo-d26e564bbd9a372d
`cas_match_labels`	`None`	`{'331-39-5': 'exactMatch'}`	group_key=caffeicacid\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'331-39-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d26e564bbd9a372d: {'331-39-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "fe0acd60-3ddc-11dd-ae44-0050c2490048",
  "name": null,
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    "331-39-5"
  ],
  "ec_numbers": [
    "206-361-2"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "Agricultural"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
    {
      "method_uuid": "2299222a-bbd8-474f-9d4f-4dd1f18aea7c",
      "name": "Human toxicity, cancer",
      "methodology": "Environmental Footprint",
      "impact_category": "Cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh) ",
      "characterization_factor": 7.6289e-8
    },
    {
      "method_uuid": "503699e0-eca9-4089-8bf8-e0f49c93e578",
      "name": "Human toxicity, cancer_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh) ",
      "characterization_factor": 7.6289e-8
    }
  ],
  "source": "EF 3.1",
  "identifier": "fe0acd60-3ddc-11dd-ae44-0050c2490048",
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          "Emissions to soil",
          "Emissions to agricultural soil"
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