Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000427

Phytochemical name: gamma-Elemene

Synonymous chemical names:
γ- elemene, γ-elemene, gamma-elemene, elemene, gamma, y- elemene, (+)-γ-elemene, γ-elemene2, (1S,2S)-1-ethenyl-1-methyl-4-propan-2-ylidene-2-prop-1-en-2-ylcyclohexane, yelemene, γ-elemene*, y-elemene or germacrene b

External chemical identifiers:
CID:CID_6432312, ChEBI:CHEBI:132656, ZINC:ZINC000085644710

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Chemical structure information

SMILES:
C=C[C@]1(C)CCC(=C(C)C)C[C@H]1C(=C)C

InChI:
InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,14H,1,4,8-10H2,2-3,5-6H3/t14-,15+/m0/s1

InChIKey:
BQSLMQNYHVFRDT-LSDHHAIUSA-N

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

Functional groups:
C=CC, CC(C)=C(C)C, C=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCCC1

Scaffold Graph/Node level:
CC1CCCCC1

Scaffold Graph level:
CC1CCCCC1

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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: Elemane sesquiterpenoids

NP-Likeness score: 3.1

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Chemical structure download