Summary

IMPPAT Phytochemical identifier: IMPHY009873

Phytochemical name: p-Menthadienol

Synonymous chemical names:
p-menthadienol

External chemical identifiers:
CID:53249447, SureChEMBL:SCHEMBL4051100

---

Chemical structure information

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

InChI:
InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,11H,4-5H2,1-3H3

InChIKey:
IOJPUZYGYNQZBZ-UHFFFAOYSA-N

DeepSMILES:
CC=CC=CCC6))CC)C)))O

Functional groups:
CC1=CC(O)=C(C)CC1

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCC=C1

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: Monocyclic monoterpenoids

NP-Likeness score: 1.576

---

Chemical structure download