Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000607

Phytochemical name: gamma-Eudesmol

Synonymous chemical names:
γ-eudesmole, uncineol, gamma-EUDESMOL, eudesmol, gamma, γ-eudesmol, Eudesmol,γ-, gamma-eudesmol, gamma eudesmol

External chemical identifiers:
CID:CID_6432005, ChEMBL:CHEMBL477900, ChEBI:CHEBI:62513, SureChEMBL:SCHEMBL194293

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Chemical structure information

SMILES:
CC1=C2C[C@@H](CC[C@]2(CCC1)C)C(O)(C)C

InChI:
InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12,16H,5-10H2,1-4H3/t12-,15-/m1/s1

InChIKey:
WMOPMQRJLLIEJV-IUODEOHRSA-N

DeepSMILES:
CC=CC[C@@H]CC[C@]6CCC%10)))C))))CO)C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCCCC2CCC1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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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: Eudesmane sesquiterpenoids

NP-Likeness score: 2.528

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Chemical structure download