Summary

IMPPAT Phytochemical identifier: IMPHY015545

Phytochemical name: Carvenone oxide

Synonymous chemical names:
carvenone oxide

External chemical identifiers:
CID:549742, SureChEMBL:SCHEMBL13846235

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Chemical structure information

SMILES:
O=C1C(C)CCC2(C1O2)C(C)C

InChI:
InChI=1S/C10H16O2/c1-6(2)10-5-4-7(3)8(11)9(10)12-10/h6-7,9H,4-5H2,1-3H3

InChIKey:
ROVXCLHKSQINCN-UHFFFAOYSA-N

DeepSMILES:
O=CCC)CCCC6O3))CC)C

Functional groups:
CC(=O)C1OC1(C)C

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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

NP-Likeness score: 2.502

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Chemical structure download