Summary

IMPPAT Phytochemical identifier: IMPHY008854

Phytochemical name: gamma-Eudesmol acetate

Synonymous chemical names:
eudesmol acetate,γ, gamma-eudesmol acetate

External chemical identifiers:
CID:129864076

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Chemical structure information

SMILES:
CC(=O)OC1CC[C@@]2(C(=C1C)C[C@@H](CC2)C(O)(C)C)C

InChI:
InChI=1S/C17H28O3/c1-11-14-10-13(16(3,4)19)6-8-17(14,5)9-7-15(11)20-12(2)18/h13,15,19H,6-10H2,1-5H3/t13-,15?,17-/m1/s1

InChIKey:
YXURJMMCMGXMJW-GWHNWCKOSA-N

DeepSMILES:
CC=O)OCCC[C@@]C=C6C))C[C@@H]CC6))CO)C)C)))))C

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

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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: 2.468

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Chemical structure download