Summary

IMPPAT Phytochemical identifier: IMPHY016044

Phytochemical name: (4-Isopropyl-2-cyclohexen-1-yl)methanol, trans-

Synonymous chemical names:
(e)-p-menth-2-en-7-ol⁄, trans-p-menth-2-en-7-ol

External chemical identifiers:
CID:22215197

---

Chemical structure information

SMILES:
OC[C@@H]1CC[C@H](C=C1)C(C)C

InChI:
InChI=1S/C10H18O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,5,8-11H,4,6-7H2,1-2H3/t9-,10-/m0/s1

InChIKey:
JWRJGMUBDGIGRT-UWVGGRQHSA-N

DeepSMILES:
OC[C@@H]CC[C@H]C=C6))CC)C

Functional groups:
CC=CC, CO

---

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: 2.844

---

Chemical structure download