Summary

IMPPAT Phytochemical identifier: IMPHY014241

Phytochemical name: 4,7,7-Trimethylbicyclo[3.2.0]hept-3-en-6-one

Synonymous chemical names:
filifolone

External chemical identifiers:
CID:12309890

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Chemical structure information

SMILES:
CC1=CCC2C1C(=O)C2(C)C

InChI:
InChI=1S/C10H14O/c1-6-4-5-7-8(6)9(11)10(7,2)3/h4,7-8H,5H2,1-3H3

InChIKey:
JVEJBTZZORGEKF-UHFFFAOYSA-N

DeepSMILES:
CC=CCCC5C=O)C4C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CC=CC12

Scaffold Graph/Node level:
OC1CC2CCCC12

Scaffold Graph level:
CC1CC2CCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Pinane monoterpenoids

NP-Likeness score: 2.16

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Chemical structure download