Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID006310

Phytochemical name: gamma-Eudesmol, acetate

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

External chemical identifiers:
CID:CID_6427488, ZINC:ZINC000033950072

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Chemical structure information

SMILES:
CC(=O)OC([C@@H]1CC[C@@]2(C(=C(C)CCC2)C1)C)(C)C

InChI:
InChI=1S/C17H28O2/c1-12-7-6-9-17(5)10-8-14(11-15(12)17)16(3,4)19-13(2)18/h14H,6-11H2,1-5H3/t14-,17-/m1/s1

InChIKey:
WJUQDFFDADGYQZ-RHSMWYFYSA-N

DeepSMILES:
CC=O)OC[C@@H]CC[C@@]C=CC)CCC6))))C6))C)))))C)C

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

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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: 2.341

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Chemical structure download