Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000495

Phytochemical name: alpha-Curcumene

Synonymous chemical names:
ar-curcumene+, alpha-curcumene, alpha curcumene, ar-curcumene, curcumene, curcumene, alpha, α-curcumene, ar-curcumene*

External chemical identifiers:
CID:CID_92139, ChEMBL:CHEMBL4210821, ChEBI:CHEBI:62757, FDASRS:S24T013WOF, SureChEMBL:SCHEMBL156333

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Chemical structure information

SMILES:
CC(=CCCC(c1ccc(cc1)C)C)C

InChI:
InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3

InChIKey:
VMYXUZSZMNBRCN-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCcccccc6))C)))))C)))))C

Functional groups:
CC=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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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: Bisabolane sesquiterpenoids

NP-Likeness score: 0.873

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Chemical structure download