Summary

IMPPAT Phytochemical identifier: IMPHY009698

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

Synonymous chemical names:
trans-chrysanthenol

External chemical identifiers:
CID:10888100

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Chemical structure information

SMILES:
CC1=CC[C@H]2[C@H]([C@@H]1C2(C)C)O

InChI:
InChI=1S/C10H16O/c1-6-4-5-7-9(11)8(6)10(7,2)3/h4,7-9,11H,5H2,1-3H3/t7-,8+,9+/m0/s1

InChIKey:
IRZWAJHUWGZMMT-DJLDLDEBSA-N

DeepSMILES:
CC=CC[C@H][C@H][C@@H]6C4C)C)))O

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

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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: 3.209

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Chemical structure download