Summary

IMPPAT Phytochemical identifier: IMPHY010584

Phytochemical name: 3,5,5,9-tetramethyl-2,4a,5,6,7,8-hexahydro-1H-benzo[7]annulene

Synonymous chemical names:
himachalene

External chemical identifiers:
CID:15095, ChEBI:49210, SureChEMBL:SCHEMBL932988

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Chemical structure information

SMILES:
CC1=CC2C(=C(C)CCCC2(C)C)CC1

InChI:
InChI=1S/C15H24/c1-11-7-8-13-12(2)6-5-9-15(3,4)14(13)10-11/h10,14H,5-9H2,1-4H3

InChIKey:
LCOSCMLXPAQCLQ-UHFFFAOYSA-N

DeepSMILES:
CC=CCC=CC)CCCC7C)C))))))CC6

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCCCC=C2CC1

Scaffold Graph/Node level:
C1CCC2CCCCC2CC1

Scaffold Graph level:
C1CCC2CCCCC2CC1

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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: Himachalane sesquiterpenoids

NP-Likeness score: 2.627

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Chemical structure download