Summary

IMPPAT Phytochemical identifier: IMPHY003956

Phytochemical name: (+)-gamma-Gurjunene

Synonymous chemical names:
1,4-dimethyl,1,2,3,3a,4,5,6,7-octahydroazulene, 1,4-dimethyl-7-(1-methylethenyl)-octahydro-azulene, gamma gurjunene, gamma-gurjunene, gurjunene gamma-, gurjunene γ-, gurjunene, gamma, gurjunene.y., γ - gurjunene, γ-gurjunene

External chemical identifiers:
CID:15560285, ZINC:ZINC000059200507, SureChEMBL:SCHEMBL17627707

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Chemical structure information

SMILES:
C[C@@H]1CC[C@H]2C1=C[C@@H](CC[C@H]2C)C(=C)C

InChI:
InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h9,11-14H,1,5-8H2,2-4H3/t11-,12-,13-,14-/m1/s1

InChIKey:
DUYRYUZIBGFLDD-AAVRWANBSA-N

DeepSMILES:
C[C@@H]CC[C@H]C5=C[C@@H]CC[C@H]7C))))C=C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCCC2CCCC1

Scaffold Graph/Node level:
C1CCC2CCCC2CC1

Scaffold Graph level:
C1CCC2CCCC2CC1

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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: Aromadendrane sesquiterpenoids

NP-Likeness score: 2.855

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Chemical structure download