Summary

IMPPAT Phytochemical identifier: IMPHY017048

Phytochemical name: Lavandulol acetate

Synonymous chemical names:
lavandulol acetate

External chemical identifiers:
CID:129819800

---

Chemical structure information

SMILES:
CC(=CC[C@@H](C(OC(=O)C)O)C(=C)C)C

InChI:
InChI=1S/C12H20O3/c1-8(2)6-7-11(9(3)4)12(14)15-10(5)13/h6,11-12,14H,3,7H2,1-2,4-5H3/t11-,12?/m1/s1

InChIKey:
FGCJSUJKWRGUHE-JHJMLUEUSA-N

DeepSMILES:
CC=CC[C@@H]COC=O)C)))O))C=C)C)))))C

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

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids, Irregular monoterpenoids

NP-Likeness score: 2.111

---

Chemical structure download