Summary

IMPPAT Phytochemical identifier: IMPHY014023

Phytochemical name: 2-Naphthalenol, 5,6,7,8-tetrahydro-3,8-dimethyl-5-(1-methylethyl)-, cis-

Synonymous chemical names:
7-hydroxycalamenene

External chemical identifiers:
CID:3015179

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Chemical structure information

SMILES:
CC(C1CCC(c2c1cc(C)c(c2)O)C)C

InChI:
InChI=1S/C15H22O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)7-14(12)13/h7-10,12,16H,5-6H2,1-4H3

InChIKey:
UTBFITAKBXMXCZ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCcc6ccC)cc6)O))))))C)))))C

Functional groups:
cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CCCC2

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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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: Sesquiterpenoids

NP Classifier Class: Cadinane sesquiterpenoids

NP-Likeness score: 1.863

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Chemical structure download