Summary

IMPPAT Phytochemical identifier: IMPHY013835

Phytochemical name: (+)-Fenchone

Synonymous chemical names:
(+)-fenchone, d-fenchone

External chemical identifiers:
CID:1201521, ChEBI:165, ZINC:ZINC000000967571, FDASRS:S436YKU51N, SureChEMBL:SCHEMBL856607, MolPort-002-506-989

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Chemical structure information

SMILES:
O=C1[C@@]2(C)CC[C@@H](C1(C)C)C2

InChI:
InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10+/m1/s1

InChIKey:
LHXDLQBQYFFVNW-XCBNKYQSSA-N

DeepSMILES:
O=C[C@@]C)CC[C@@H]C6C)C))C5

Functional groups:
CC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCC1C2

Scaffold Graph/Node level:
OC1CC2CCC1C2

Scaffold Graph level:
CC1CC2CCC1C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Fenchane monoterpenoids

NP-Likeness score: 2.47

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Chemical structure download