Summary

IMPPAT Phytochemical identifier: IMPHY009731

Phytochemical name: Carvone oxide

Synonymous chemical names:
cis-carvone oxide

External chemical identifiers:
CID:11030188, ZINC:ZINC000017027267, FDASRS:TV5341W478, MolPort-045-999-251

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Chemical structure information

SMILES:
CC(=C)[C@H]1CC(=O)[C@@]2([C@H](C1)O2)C

InChI:
InChI=1S/C10H14O2/c1-6(2)7-4-8(11)10(3)9(5-7)12-10/h7,9H,1,4-5H2,2-3H3/t7-,9-,10+/m0/s1

InChIKey:
YGMNGQDLUQECTO-UJNFCWOMSA-N

DeepSMILES:
CC=C)[C@H]CC=O)[C@@][C@H]C6)O3))C

Functional groups:
C=C(C)C, CC(=O)[C@@]1(C)O[C@H]1C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCC2OC12

Scaffold Graph/Node level:
OC1CCCC2OC12

Scaffold Graph level:
CC1CCCC2CC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Oxepanes

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids, Monocyclic monoterpenoids

NP-Likeness score: 3.294

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Chemical structure download