Summary

IMPPAT Phytochemical identifier: IMPHY010182

Phytochemical name: 8-Isopropyl-2,5-dimethyl-1,2,3,4-tetrahydronaphthalene

Synonymous chemical names:
cadina-1(10),6,8-triene, calamene

External chemical identifiers:
CID:518975

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Chemical structure information

SMILES:
CC1CCc2c(C1)c(ccc2C)C(C)C

InChI:
InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,8,10-11H,5,7,9H2,1-4H3

InChIKey:
LVIDDMJSLAVTSZ-UHFFFAOYSA-N

DeepSMILES:
CCCCccC6)cccc6C))))CC)C

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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: 0.139

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Chemical structure download