Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018024

Phytochemical name: Eudesmol acetate

Synonymous chemical names:
Eudesmol acetate

External chemical identifiers:
CID:CID_146020857

---

Chemical structure information

SMILES:
CC(=O)OC1CC[C@@]2([C@@H]([C@@]1(C)O)C[C@@H](CC2)C(C)C)C

InChI:
InChI=1S/C17H30O3/c1-11(2)13-6-8-16(4)9-7-15(20-12(3)18)17(5,19)14(16)10-13/h11,13-15,19H,6-10H2,1-5H3/t13-,14+,15?,16-,17-/m1/s1

InChIKey:
CDDUPZLTXQTDNX-PFUJJPPESA-N

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

Functional groups:
CO, COC(C)=O

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2CCCCC2C1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

---

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: 2.547

---

Chemical structure download