Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000775

Phytochemical name: Fenchone

Synonymous chemical names:
Fenchone, fenchone

External chemical identifiers:
CID:CID_14525, ChEMBL:CHEMBL2268554, ChEBI:CHEBI:4999, SureChEMBL:SCHEMBL57584, MolPort-002-536-693

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Chemical structure information

SMILES:
O=C1C2(C)CCC(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

InChIKey:
LHXDLQBQYFFVNW-UHFFFAOYSA-N

DeepSMILES:
O=CCC)CCCC6C)C))C5

Functional groups:
CC(=O)C

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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