(4S,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone (BioCAD00000000602)

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Metabolite Card

Chinese Name: 雌酮
Formula: C10H16O2 (168.115)
SMILES: 

C=C(C)[C@H]1CC[C@@H](C)OC(C1)=O

Synonyms [en]

(4S,7R)-4-isopropenyl-7-methyloxepan-2-one; (4S,7R)-4-isopropenyl-7-methyl-2-oxo-oxepanone; (4S,7R)-7-methyl-4-(prop-1-en-2-yl)oxepan-2-one; (4S,7R)-7-methyl-4-(1-methylethenyl)oxepan-2-one; (4S,7R)-7-methyl-4-(1-methylethen-1-yl)oxepan-2-one; 4-Isopropenyl-7-methyloxepan-2-one

Reviewed

Last reviewed on 2026-04-16.

Cite this Page

(4S,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone. 数据之源，洞见之始. SMRUCC genomics institute, a synthetic life researcher from China. https://biocad_registry.innovation.ac.cn/s/4S,7R_4-Isopropenyl-7-methyl-2-oxo-oxepanone (retrieved 2026-08-20) (CAD Registry RN: BioCAD00000000602). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Note

(4S,7R)-4-isopropenyl-7-methyloxepan-2-one

Entity Information

DBLinks

Other DBLinks
  • PubChem: 443182
  • ChEBI: ChEBI:233
  • LipidMaps: LMPR0102090059
  • KEGG: C11414
  • BioCyc: CPD-10064
  • Metlin: METLIN_53319
  • metaboanalyst: e517382897c66fe3bf9f99c0374f040c

Class / Ontology

Metabolic Network
ID EC Number Name
KEGG:R06387 1.14.13.105 NADPH:oxygen oxidoreductase
KEGG:R06392 3.1.1.83 4-isopropenyl-7-methyloxepan-2-one lactonohydrolase
Rhea:RHEA:32516 3.1.1.83 (4S,7R)-4-isopropenyl-7-methyloxepan-2-one + H2O => (3S,6R)-6-hydroxy-3-isopropenylheptanoate + H+
Rhea:RHEA:32517 3.1.1.83 (3S,6R)-6-hydroxy-3-isopropenylheptanoate + H+ => (4S,7R)-4-isopropenyl-7-methyloxepan-2-one + H2O
Rhea:RHEA:32518 3.1.1.83 (4S,7R)-4-isopropenyl-7-methyloxepan-2-one + H2O <=> (3S,6R)-6-hydroxy-3-isopropenylheptanoate + H+
BioCyc:RXN-9420 1.14.13.105 CPD-10042 + NADPH + PROTON + OXYGEN-MOLECULE --> CPD-10064 + NADP + WATER
BioCyc:RXN-9421 3.1.1.83 CPD-10064 + WATER --> PROTON + CPD-10065
Rhea:RHEA:32515 [32515] (4S,7R)-4-isopropenyl-7-methyloxepan-2-one + H2O = (3S,6R)-6-hydroxy-3-isopropenylheptanoate + H(+)
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Mass Spectrum
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Organism Source

Taxonomy Source

Pathway Synthetic

pathway id name
BioCyc:META_PWY-5927 (4S)-carveol and (4S)-dihydrocarveol degradation
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