Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000677

Phytochemical name: (-)-beta-Chamigrene

Synonymous chemical names:
beta-chamigrene, β-chamigrene, (-)-beta-Chamigrene

External chemical identifiers:
CID:CID_442353, ChEBI:CHEBI:10359

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Chemical structure information

SMILES:
CC1=CC[C@@]2(CC1)C(=C)CCCC2(C)C

InChI:
InChI=1S/C15H24/c1-12-7-10-15(11-8-12)13(2)6-5-9-14(15,3)4/h7H,2,5-6,8-11H2,1,3-4H3/t15-/m1/s1

InChIKey:
WLNGPDPILFYWKF-OAHLLOKOSA-N

DeepSMILES:
CC=CC[C@@]CC6))C=C)CCCC6C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCCC12CC=CCC2

Scaffold Graph/Node level:
CC1CCCCC12CCCCC2

Scaffold Graph level:
CC1CCCCC12CCCCC2

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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: Chamigrane sesquiterpenoids

NP-Likeness score: 3.276

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Chemical structure download