Summary

IMPPAT Phytochemical identifier: IMPHY013166

Phytochemical name: gamma-Calacorene

Synonymous chemical names:
gamma-calacorene

External chemical identifiers:
CID:14038842, ZINC:ZINC000085489325, SureChEMBL:SCHEMBL3312006

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Chemical structure information

SMILES:
Cc1ccc2c(c1)C(=CC[C@@H]2C)C(C)C

InChI:
InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3/t12-/m0/s1

InChIKey:
YLIAZCIBLKJTKN-LBPRGKRZSA-N

DeepSMILES:
Ccccccc6)C=CC[C@@H]6C))))CC)C

Functional groups:
cC(C)=CC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=Cc2ccccc2CC1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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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: Cadinane sesquiterpenoids

NP-Likeness score: 1.263

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Chemical structure download