Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018255

Phytochemical name: 3-Cyclohexene-1-methanol, 2-hydroxy-alpha,alpha,4-trimethyl-

Synonymous chemical names:
3-Cyclohexene-1-methanol, 2-hydroxy-alpha,alpha,4-trimethyl-

External chemical identifiers:
CID:CID_527823

---

Chemical structure information

SMILES:
CC1=CC(C(CC1)C(O)(C)C)O

InChI:
InChI=1S/C10H18O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h6,8-9,11-12H,4-5H2,1-3H3

InChIKey:
MUTBSGZZTDPVPZ-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCC6))CO)C)C)))O

Functional groups:
CO, CC=C(C)C

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCCC1

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: 2.85

---

Chemical structure download