Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000239

Phytochemical name: gamma-Muurolene

Synonymous chemical names:
gamma-muurolene, gamma-Muurolene, γ- muurolene+, gamma-muurolene*, (γ-amorphene), γ-muurolene, muurolene,gamma-, γ-amorphene, muurolene, gamma

External chemical identifiers:
CID:CID_12313020, ChEBI:CHEBI:64798, ZINC:ZINC000059589136

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Chemical structure information

SMILES:
CC1=C[C@@H]2[C@H](CC1)C(=C)CC[C@H]2C(C)C

InChI:
InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14+,15-/m0/s1

InChIKey:
WRHGORWNJGOVQY-ZNMIVQPWSA-N

DeepSMILES:
CC=C[C@@H][C@H]CC6))C=C)CC[C@H]6CC)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC2C=CCCC12

Scaffold Graph/Node level:
CC1CCCC2CCCCC12

Scaffold Graph level:
CC1CCCC2CCCCC12

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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: 3.085

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Chemical structure download