Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID003950

Phytochemical name: (6R)-tricyclo[5.2.1.02,6]decan-8-one

Synonymous chemical names:
c10h14o

External chemical identifiers:
CID:CID_16410417, MolPort-002-548-273

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Chemical structure information

SMILES:
O=C1CC2CC1[C@H]1C2CCC1

InChI:
InChI=1S/C10H14O/c11-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-9H,1-5H2/t6?,7?,8-,9?/m1/s1

InChIKey:
OMIDXVJKZCPKEI-DIVUHBNLSA-N

DeepSMILES:
O=CCCCC5[C@H]C5CCC5

Functional groups:
CC(=O)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CC1C1CCCC21

Scaffold Graph/Node level:
OC1CC2CC1C1CCCC21

Scaffold Graph level:
CC1CC2CC1C1CCCC21

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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-Likeness score: 1.845

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Chemical structure download