Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000975

Phytochemical name: (-)-beta-Curcumene

Synonymous chemical names:
(-)-beta-curcumene, β-curcumene, (-)-beta-Curcumene, Curcumene,β-, beta-curcumene, beta curcumene

External chemical identifiers:
CID:CID_14014430, ChEBI:CHEBI:62760

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Chemical structure information

SMILES:
CC(=CCC[C@H](C1=CCC(=CC1)C)C)C

InChI:
InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,11,14H,5,7,9-10H2,1-4H3/t14-/m1/s1

InChIKey:
JXZQZARENYGJMK-CQSZACIVSA-N

DeepSMILES:
CC=CCC[C@H]C=CCC=CC6))C)))))C)))))C

Functional groups:
CC=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCC=CC1

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: 2.917

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Chemical structure download