Summary

IMPPAT Phytochemical identifier: IMPHY014054

Phytochemical name: alpha-Corocalene

Synonymous chemical names:
alpha-corocalene, α- corocalene

External chemical identifiers:
CID:5316074, SureChEMBL:SCHEMBL21544568

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Chemical structure information

SMILES:
CC1=Cc2c(CC1)c(C)ccc2C(C)C

InChI:
InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,8-10H,5,7H2,1-4H3

InChIKey:
VTUZIFHLLUSULC-UHFFFAOYSA-N

DeepSMILES:
CC=CccCC6))cC)ccc6CC)C

Functional groups:
cC=C(C)C

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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: 1.156

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Chemical structure download