Summary

IMPPAT Phytochemical identifier: IMPHY005279

Phytochemical name: 4-(2-Hydroxypropan-2-yl)-1-methylcyclohexane-1,2-diol

Synonymous chemical names:
p-menthane-1,2,8-triol

External chemical identifiers:
CID:186702, ChEBI:171752

---

Chemical structure information

SMILES:
OC1CC(CCC1(C)O)C(O)(C)C

InChI:
InChI=1S/C10H20O3/c1-9(2,12)7-4-5-10(3,13)8(11)6-7/h7-8,11-13H,4-6H2,1-3H3

InChIKey:
KANCZQSRUGHECB-UHFFFAOYSA-N

DeepSMILES:
OCCCCCC6C)O))))CO)C)C

Functional groups:
CO

---

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

NP-Likeness score: 2.916

---

Chemical structure download