Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002152

Phytochemical name: gamma-Himachalene

Synonymous chemical names:
γ-himachalene, gamma-himachalene, gamma-Himachalene

External chemical identifiers:
CID:CID_577062, ChEBI:CHEBI:49224, SureChEMBL:SCHEMBL11075852

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Chemical structure information

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

InChI:
InChI=1S/C15H24/c1-11-7-8-13-12(2)6-5-9-15(3,4)14(13)10-11/h6,10,13-14H,5,7-9H2,1-4H3

InChIKey:
PUWNTRHCKNHSAT-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCC6))C=CCCC7C)C)))))C

Functional groups:
CC=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCC=CC2CCC1

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: 2.865

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Chemical structure download