Summary

IMPPAT Phytochemical identifier: IMPHY010618

Phytochemical name: Pin-2-en-8-ol

Synonymous chemical names:
pin-2-en-8-ol

Chemical structure information

SMILES:
OCC1(C)C2CC=C(C1C2)C

InChI:
InChI=1S/C10H16O/c1-7-3-4-8-5-9(7)10(8,2)6-11/h3,8-9,11H,4-6H2,1-2H3

InChIKey:
MDUZMEFTWKMVTF-UHFFFAOYSA-N

DeepSMILES:
OCCC)CCC=CC6C6))C

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CC(C1)C2

Scaffold Graph/Node level:
C1CC2CC(C1)C2

Scaffold Graph level:
C1CC2CC(C1)C2

---

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: Pinane monoterpenoids

NP-Likeness score: 3.292

---

Chemical structure download