Summary

IMPPAT Phytochemical identifier: IMPHY016729

Phytochemical name: Propanoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester

Synonymous chemical names:
menthyl lactate

External chemical identifiers:
CID:28358, ChEBI:174175, SureChEMBL:SCHEMBL81703, MolPort-003-855-673

---

Chemical structure information

SMILES:
CC1CCC(C(C1)OC(=O)C(O)C)C(C)C

InChI:
InChI=1S/C13H24O3/c1-8(2)11-6-5-9(3)7-12(11)16-13(15)10(4)14/h8-12,14H,5-7H2,1-4H3

InChIKey:
UJNOLBSYLSYIBM-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC6)OC=O)CO)C)))))CC)C

Functional groups:
CO, COC(C)=O

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

---

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: Menthane monoterpenoids, Monocyclic monoterpenoids

NP-Likeness score: 1.145

---

Chemical structure download