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3-Methoxyestra-2,5(10)-dien-17β-ol

UUID 5e590881-da22-4096-b2c0-0c8949aaa0f5
Flow Object IDfo-4c421651797a95b0
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 1091-93-6
EC Numbers 214-130-2
prefLabel
Language Value Provenance
en 3-Methoxyestra-2,5(10)-dien-17β-ol
altLabel
Language Value Provenance
en 3-Methoxyestra-2,5(10)-dien-17beta-ol
en (17β)-3-Methoxyestra-2,5(10)-dien-17-ol
en (8R,9S,13S,14S,17S)-3-Methoxy-13-methyl-4,6,7,8,9,11,12,13,14,15,16,17-dodecahydro-1<em>H</em>-cyclopenta[<em>a</em>]phenanthren-17-ol
en 1,4-Dihydro-3,17-estradiol 3-methyl ether
en 1,4-Dihydroestradiol 3-methyl ether
en 3-Methoxy-19-norandrosta-2(3),5(10)-dien-17β-ol
en 3-Methoxyestra-2,5(10)-diene-17β-ol
en 3-Methyloxyestr-2,5(10)-dien-17β-ol
en Estra-2,5(10)-dien-17-ol, 3-methoxy-, (17β)-
en Estra-2,5(10)-dien-17β-ol, 3-methoxy-
en NSC 67575
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey XFFZLECPCHQJIR-GFEQUFNTSA-N
InChI InChI=1S/C19H28O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,15-18,20H,3,5-11H2,1-2H3/t15-,16-,17+,18+,19+/m1/s1
IUPAC name (8R,9S,13S,14S,17S)-3-methoxy-13-methyl-1,4,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-ol
Molecular formula C19H28O2
Molecular mass 288.431
Monoisotopic mass 288.20893
SMILES CC12CCC3C(C1CCC2O)CCC4=C3CC=C(C4)OC, C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3CC=C(C4)OC, [H][C@@]12CCC3=C(CC=C(OC)C3)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 5e590881-da22-4096-b2c0-0c8949aaa0f5 3-methoxyestra-2,5(10)-dien-17-ol

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 3-methoxyestra-2,5(10)-dien-17-ol Emissions/Emissions to soil/Emissions to non-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 2 consensus_match group_key=3-methoxyestra-2,5(10)-dien-17-ol||dimension=Environmental > media=Water > water_body=Surface water; cas=1091-93-6; added Common Chemistry CAS names as altLabel: (17β)-3-Methoxyestra-2,5(10)-dien-17-ol, (8R,9S,13S,14S,17S)-3-Methoxy-13-methyl-4,6,7,8,9,11,12,13,14,15,16,17-dodecahydro-1<em>H</em>-cyclopenta[<em>a</em>]phenanthren-17-ol, 1,4-Dihydro-3,17-estradiol 3-methyl ether, 1,4-Dihydroestradiol 3-methyl ether, 3-Methoxy-19-norandrosta-2(3),5(10)-dien-17β-ol, 3-Methoxyestra-2,5(10)-diene-17β-ol, 3-Methyloxyestr-2,5(10)-dien-17β-ol, Estra-2,5(10)-dien-17-ol, 3-methoxy-, (17β)-, Estra-2,5(10)-dien-17β-ol, 3-methoxy-, NSC 67575; object_uuid=fo-4c421651797a95b0
cas_match_labels 1 consensus_match group_key=3-methoxyestra-2,5(10)-dien-17-ol||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory']; cas_sources={'1091-93-6': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-4c421651797a95b0: {'1091-93-6': 'exactMatch'}
prefLabel 1 consensus_match cas=1091-93-6; cc_chebi_agreed_name='3-Methoxyestra-2,5(10)-dien-17β-ol'; object_uuid=fo-4c421651797a95b0

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': '3-methoxyestra-2,5(10)-dien-17-ol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': '3-Methoxyestra-2,5(10)-dien-17β-ol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1091-93-6'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=1091-93-6; cc_chebi_agreed_name='3-Methoxyestra-2,5(10)-dien-17β-ol'; object_uuid=fo-4c421651797a95b0
altLabel [{'@value': '3-Methoxyestra-2,5(10)-dien-17beta-ol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-Methoxyestra-2,5(10)-dien-17beta-ol', 'http://purl.obolibrary.org/obo/CHEBI_34341', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '3-Methoxyestra-2,5(10)-dien-17beta-ol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-Methoxyestra-2,5(10)-dien-17beta-ol', 'http://purl.obolibrary.org/obo/CHEBI_34341', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-methoxyestra-2,5(10)-dien-17-ol', '@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=1091-93-6; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-4c421651797a95b0
altLabel [{'@value': '3-Methoxyestra-2,5(10)-dien-17beta-ol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-Methoxyestra-2,5(10)-dien-17beta-ol', 'http://purl.obolibrary.org/obo/CHEBI_34341', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-methoxyestra-2,5(10)-dien-17-ol', '@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': '3-Methoxyestra-2,5(10)-dien-17beta-ol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-Methoxyestra-2,5(10)-dien-17beta-ol', 'http://purl.obolibrary.org/obo/CHEBI_34341', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(17β)-3-Methoxyestra-2,5(10)-dien-17-ol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1091-93-6', 'https://commonchemistry.cas.org/detail?cas_rn=1091-93-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(8R,9S,13S,14S,17S)-3-Methoxy-13-methyl-4,6,7,8,9,11,12,13,14,15,16,17-dodecahydro-1<em>H</em>-cyclopenta[<em>a</em>]phenanthren-17-ol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1091-93-6', 'https://commonchemistry.cas.org/detail?cas_rn=1091-93-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,4-Dihydro-3,17-estradiol 3-methyl ether', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1091-93-6', 'https://commonchemistry.cas.org/detail?cas_rn=1091-93-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,4-Dihydroestradiol 3-methyl ether', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1091-93-6', 'https://commonchemistry.cas.org/detail?cas_rn=1091-93-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Methoxy-19-norandrosta-2(3),5(10)-dien-17β-ol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1091-93-6', 'https://commonchemistry.cas.org/detail?cas_rn=1091-93-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Methoxyestra-2,5(10)-diene-17β-ol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1091-93-6', 'https://commonchemistry.cas.org/detail?cas_rn=1091-93-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Methyloxyestr-2,5(10)-dien-17β-ol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1091-93-6', 'https://commonchemistry.cas.org/detail?cas_rn=1091-93-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Estra-2,5(10)-dien-17-ol, 3-methoxy-, (17β)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1091-93-6', 'https://commonchemistry.cas.org/detail?cas_rn=1091-93-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Estra-2,5(10)-dien-17β-ol, 3-methoxy-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1091-93-6', 'https://commonchemistry.cas.org/detail?cas_rn=1091-93-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 67575', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1091-93-6', 'https://commonchemistry.cas.org/detail?cas_rn=1091-93-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=3-methoxyestra-2,5(10)-dien-17-ol||dimension=Environmental > media=Water > water_body=Surface water; cas=1091-93-6; added Common Chemistry CAS names as altLabel: (17β)-3-Methoxyestra-2,5(10)-dien-17-ol, (8R,9S,13S,14S,17S)-3-Methoxy-13-methyl-4,6,7,8,9,11,12,13,14,15,16,17-dodecahydro-1<em>H</em>-cyclopenta[<em>a</em>]phenanthren-17-ol, 1,4-Dihydro-3,17-estradiol 3-methyl ether, 1,4-Dihydroestradiol 3-methyl ether, 3-Methoxy-19-norandrosta-2(3),5(10)-dien-17β-ol, 3-Methoxyestra-2,5(10)-diene-17β-ol, 3-Methyloxyestr-2,5(10)-dien-17β-ol, Estra-2,5(10)-dien-17-ol, 3-methoxy-, (17β)-, Estra-2,5(10)-dien-17β-ol, 3-methoxy-, NSC 67575; object_uuid=fo-4c421651797a95b0
cas_match_labels None {'1091-93-6': 'exactMatch'} group_key=3-methoxyestra-2,5(10)-dien-17-ol||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory']; cas_sources={'1091-93-6': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-4c421651797a95b0: {'1091-93-6': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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