Summary

IMPPAT Phytochemical identifier: IMPHY016581

Phytochemical name: Civetone

Synonymous chemical names:
civetone

External chemical identifiers:
CID:5315941, ChEBI:78317, ZINC:ZINC000004916317, FDASRS:P0K30CV1UE, SureChEMBL:SCHEMBL284379

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Chemical structure information

SMILES:
O=C1CCCCCCC/C=CCCCCCCC1

InChI:
InChI=1S/C17H30O/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-17/h1-2H,3-16H2/b2-1-

InChIKey:
ZKVZSBSZTMPBQR-UPHRSURJSA-N

DeepSMILES:
O=CCCCCCCC/C=CCCCCCCC%17

Functional groups:
C/C=CC, CC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCCCCCC=CCCCCCCC1

Scaffold Graph/Node level:
OC1CCCCCCCCCCCCCCCC1

Scaffold Graph level:
CC1CCCCCCCCCCCCCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Lactones

NP-Likeness score: 0.44

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Chemical structure download