Summary

IMPPAT Phytochemical identifier: IMPHY006705

Phytochemical name: 5-Ethyl-3,8-dimethyl-1,6-dihydroazulene

Synonymous chemical names:
3,6-dihydrochamazulene

External chemical identifiers:
CID:71349359

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Chemical structure information

SMILES:
CCC1=CC2=C(C(=CC1)C)CC=C2C

InChI:
InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-6,9H,4,7-8H2,1-3H3

InChIKey:
NVMJWYJTLVURAS-UHFFFAOYSA-N

DeepSMILES:
CCC=CC=CC=CC7))C))CC=C5C

Functional groups:
CC1=CC2=C(CC=C2C)C(C)=CC1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2=C(C=CC1)CC=C2

Scaffold Graph/Node level:
C1CCC2CCCC2CC1

Scaffold Graph level:
C1CCC2CCCC2CC1

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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: Guaiane sesquiterpenoids

NP-Likeness score: 1.159

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Chemical structure download