Summary

IMPPAT Phytochemical identifier: IMPHY001818

Phytochemical name: 2,2,5-Trimethylcyclohept-4-en-1-ol

Synonymous chemical names:
karahanaenol

External chemical identifiers:
CID:11469190

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Chemical structure information

SMILES:
CC1=CCC(C(CC1)O)(C)C

InChI:
InChI=1S/C10H18O/c1-8-4-5-9(11)10(2,3)7-6-8/h6,9,11H,4-5,7H2,1-3H3

InChIKey:
VKAFINVFYIQQEY-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCCC7))O))C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCCCC1

Scaffold Graph/Node level:
C1CCCCCC1

Scaffold Graph level:
C1CCCCCC1

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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-Likeness score: 2.924

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Chemical structure download