Summary

IMPPAT Phytochemical identifier: IMPHY016571

Phytochemical name: Bicyclo[3.1.1]hept-2-en-6-ol, 2,7,7-trimethyl-, formate, (1R,5S,6S)-rel-

Synonymous chemical names:
cis-chrysanthenyl formate

External chemical identifiers:
CID:91710482

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Chemical structure information

SMILES:
O=COC1C2CC=C(C1C2(C)C)C

InChI:
InChI=1S/C11H16O2/c1-7-4-5-8-10(13-6-12)9(7)11(8,2)3/h4,6,8-10H,5H2,1-3H3

InChIKey:
UUPONGFJZWADRE-UHFFFAOYSA-N

DeepSMILES:
O=COCCCC=CC6C6C)C)))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CC(C1)C2

Scaffold Graph/Node level:
C1CC2CC(C1)C2

Scaffold Graph level:
C1CC2CC(C1)C2

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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: Pinane monoterpenoids

NP-Likeness score: 2.726

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Chemical structure download