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3-(but-2-enyl)-2-methyl-4-oxocyclopent-2-enyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate

UUID 86124a5f-8eff-4f52-96c1-6c16bde89245
Flow Object IDfo-d67e02209cd96613
Source EF 3.1
Context Environmental → Ground → Agricultural
CAS Numbers 25402-06-6
EC Numbers 246-948-0
prefLabel
Language Value Provenance
en 3-(but-2-enyl)-2-methyl-4-oxocyclopent-2-enyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate
altLabel ⓘ
Language Value Provenance
en (-)-Cinerin I
en Cinerin
en Cinerin I
en Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1<em>S</em>)-3-(2<em>Z</em>)-2-butenyl-2-methyl-4-oxo-2-cyclopenten-1-yl ester, (1<em>R</em>,3<em>R</em>)-
en Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 3-(2-butenyl)-2-methyl-4-oxo-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 2-(2-butenyl)-4-hydroxy-3-methyl-2-cyclopenten-1-one
References
Shared Properties
Predicate Value
InChIKey FMTFEIJHMMQUJI-BQYQJAHWSA-N, FMTFEIJHMMQUJI-DFKXKMKHSA-N, FMTFEIJHMMQUJI-UHFFFAOYSA-N, GLYFMAIZDDRWSD-UHFFFAOYSA-N
InChI InChI=1S/C19H27N3O2/c1-13-17(18-12-16(24-3)4-5-19(18)20-13)8-11-22-9-6-15(7-10-22)21-14(2)23/h4-5,12,15,20H,6-11H2,1-3H3,(H,21,23), InChI=1S/C20H28O3/c1-7-8-9-14-13(4)17(11-16(14)21)23-19(22)18-15(10-12(2)3)20(18,5)6/h7-8,10,15,17-18H,9,11H2,1-6H3, InChI=1S/C20H28O3/c1-7-8-9-14-13(4)17(11-16(14)21)23-19(22)18-15(10-12(2)3)20(18,5)6/h7-8,10,15,17-18H,9,11H2,1-6H3/b8-7+, InChI=1S/C20H28O3/c1-7-8-9-14-13(4)17(11-16(14)21)23-19(22)18-15(10-12(2)3)20(18,5)6/h7-8,10,15,17-18H,9,11H2,1-6H3/b8-7-/t15-,17+,18+/m1/s1
IUPAC name (3-but-2-enyl-2-methyl-4-oxidanylidene-cyclopent-2-en-1-yl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate, (3-but-2-enyl-2-methyl-4-oxo-cyclopent-2-en-1-yl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate, (3-but-2-enyl-2-methyl-4-oxocyclopent-2-en-1-yl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate, 2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxylic acid (3-but-2-enyl-2-methyl-4-oxo-1-cyclopent-2-enyl) ester, 2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxylic acid [3-[(E)-but-2-enyl]-2-methyl-4-oxo-1-cyclopent-2-enyl] ester, 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid (3-but-2-enyl-4-keto-2-methyl-cyclopent-2-en-1-yl) ester, 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid [3-[(E)-but-2-enyl]-4-keto-2-methyl-cyclopent-2-en-1-yl] ester, N-[1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-4-piperidinyl]acetamide, N-[1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-4-piperidyl]acetamide, N-[1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]piperidin-4-yl]acetamide, N-[1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]piperidin-4-yl]ethanamide, [3-[(E)-but-2-enyl]-2-methyl-4-oxidanylidene-cyclopent-2-en-1-yl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate, [3-[(E)-but-2-enyl]-2-methyl-4-oxo-cyclopent-2-en-1-yl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate, [3-[(E)-but-2-enyl]-2-methyl-4-oxocyclopent-2-en-1-yl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate, cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxylic acid [(1S)-3-[(Z)-but-2-enyl]-2-methyl-4-oxo-1-cyclopent-2-enyl] ester, cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid [(1S)-3-[(Z)-but-2-enyl]-4-keto-2-methyl-cyclopent-2-en-1-yl] ester, cis-[(1S)-3-[(Z)-but-2-enyl]-2-methyl-4-oxidanylidene-cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate, cis-[(1S)-3-[(Z)-but-2-enyl]-2-methyl-4-oxo-cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate, cis-[(1S)-3-[(Z)-but-2-enyl]-2-methyl-4-oxocyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Molecular formula C19H27N3O2, C20H28O3
SMILES C/C=C/CC1=C(C(CC1=O)OC(=O)C2C(C2(C)C)C=C(C)C)C, C/C=C\CC1=C([C@H](CC1=O)OC(=O)[C@@H]2[C@H](C2(C)C)C=C(C)C)C, CC1=C(C2=C(N1)C=CC(=C2)OC)CCN3CCC(CC3)NC(=O)C, CC=CCC1=C(C(CC1=O)OC(=O)C2C(C2(C)C)C=C(C)C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 86124a5f-8eff-4f52-96c1-6c16bde89245 3-(but-2-enyl)-2-methyl-4-oxocyclopent-2-enyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 3-(but-2-enyl)-2-methyl-4-oxocyclopent-2-enyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate 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=3-(but-2-enyl)-2-methyl-4-oxocyclopent-2-enyl2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate||dimension=Environmental > media=Air > indoor=Unknown; cas=25402-06-6; added Common Chemistry CAS names as altLabel: (-)-Cinerin I, Cinerin, Cinerin I, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1<em>S</em>)-3-(2<em>Z</em>)-2-butenyl-2-methyl-4-oxo-2-cyclopenten-1-yl ester, (1<em>R</em>,3<em>R</em>)-, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 3-(2-butenyl)-2-methyl-4-oxo-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 2-(2-butenyl)-4-hydroxy-3-methyl-2-cyclopenten-1-one; object_uuid=fo-d67e02209cd96613
cas_match_labels 1 — consensus_match group_key=3-(but-2-enyl)-2-methyl-4-oxocyclopent-2-enyl2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25402-06-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d67e02209cd96613: {'25402-06-6': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyAgricultural

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '(-)-Cinerin I', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:25402-06-6', 'https://commonchemistry.cas.org/detail?cas_rn=25402-06-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cinerin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:25402-06-6', 'https://commonchemistry.cas.org/detail?cas_rn=25402-06-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cinerin I', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:25402-06-6', 'https://commonchemistry.cas.org/detail?cas_rn=25402-06-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1<em>S</em>)-3-(2<em>Z</em>)-2-butenyl-2-methyl-4-oxo-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:25402-06-6', 'https://commonchemistry.cas.org/detail?cas_rn=25402-06-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 3-(2-butenyl)-2-methyl-4-oxo-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:25402-06-6', 'https://commonchemistry.cas.org/detail?cas_rn=25402-06-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, ester with 2-(2-butenyl)-4-hydroxy-3-methyl-2-cyclopenten-1-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:25402-06-6', 'https://commonchemistry.cas.org/detail?cas_rn=25402-06-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=3-(but-2-enyl)-2-methyl-4-oxocyclopent-2-enyl2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate||dimension=Environmental > media=Air > indoor=Unknown; cas=25402-06-6; added Common Chemistry CAS names as altLabel: (-)-Cinerin I, Cinerin, Cinerin I, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1<em>S</em>)-3-(2<em>Z</em>)-2-butenyl-2-methyl-4-oxo-2-cyclopenten-1-yl ester, (1<em>R</em>,3<em>R</em>)-, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 3-(2-butenyl)-2-methyl-4-oxo-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 2-(2-butenyl)-4-hydroxy-3-methyl-2-cyclopenten-1-one; object_uuid=fo-d67e02209cd96613
cas_match_labels None {'25402-06-6': 'exactMatch'} group_key=3-(but-2-enyl)-2-methyl-4-oxocyclopent-2-enyl2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25402-06-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d67e02209cd96613: {'25402-06-6': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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      "characterization_factor": 2196.7
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      "@value": [
        "(3-but-2-enyl-2-methyl-4-oxidanylidene-cyclopent-2-en-1-yl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate",
        "(3-but-2-enyl-2-methyl-4-oxo-cyclopent-2-en-1-yl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate",
        "(3-but-2-enyl-2-methyl-4-oxocyclopent-2-en-1-yl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate",
        "2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxylic acid (3-but-2-enyl-2-methyl-4-oxo-1-cyclopent-2-enyl) ester",
        "2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxylic acid [3-[(E)-but-2-enyl]-2-methyl-4-oxo-1-cyclopent-2-enyl] ester",
        "2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid (3-but-2-enyl-4-keto-2-methyl-cyclopent-2-en-1-yl) ester",
        "2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid [3-[(E)-but-2-enyl]-4-keto-2-methyl-cyclopent-2-en-1-yl] ester",
        "N-[1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-4-piperidinyl]acetamide",
        "N-[1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-4-piperidyl]acetamide",
        "N-[1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]piperidin-4-yl]acetamide",
        "N-[1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]piperidin-4-yl]ethanamide",
        "[3-[(E)-but-2-enyl]-2-methyl-4-oxidanylidene-cyclopent-2-en-1-yl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate",
        "[3-[(E)-but-2-enyl]-2-methyl-4-oxo-cyclopent-2-en-1-yl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate",
        "[3-[(E)-but-2-enyl]-2-methyl-4-oxocyclopent-2-en-1-yl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate",
        "cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxylic acid [(1S)-3-[(Z)-but-2-enyl]-2-methyl-4-oxo-1-cyclopent-2-enyl] ester",
        "cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid [(1S)-3-[(Z)-but-2-enyl]-4-keto-2-methyl-cyclopent-2-en-1-yl] ester",
        "cis-[(1S)-3-[(Z)-but-2-enyl]-2-methyl-4-oxidanylidene-cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate",
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