Summary

IMPPAT Phytochemical identifier: IMPHY000921

Phytochemical name: alpha-Chamigrene

Synonymous chemical names:
alpha-chamigrene, α- chamigrene

External chemical identifiers:
CID:442351, ChEBI:10220

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Chemical structure information

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

InChI:
InChI=1S/C15H24/c1-12-7-10-15(11-8-12)13(2)6-5-9-14(15,3)4/h6-7H,5,8-11H2,1-4H3/t15-/m1/s1

InChIKey:
SIBCECUUMHIAAM-OAHLLOKOSA-N

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

Functional groups:
CC=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2(CC=CCC2)CCC1

Scaffold Graph/Node level:
C1CCC2(CC1)CCCCC2

Scaffold Graph level:
C1CCC2(CC1)CCCCC2

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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: 3.149

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Chemical structure download