Summary

IMPPAT Phytochemical identifier: IMPHY012303

Phytochemical name: 6-Azulenol, 1,2,3,3a,4,5,6,8a-octahydro-4,8-dimethyl-2-(1-methylethylidene)-

Synonymous chemical names:
vetiverol, vetiverols

External chemical identifiers:
CID:101549, ChEMBL:CHEMBL3732724, FDASRS:627QG30491, SureChEMBL:SCHEMBL1245070

---

Chemical structure information

SMILES:
OC1CC(C)C2C(C(=C1)C)CC(=C(C)C)C2

InChI:
InChI=1S/C15H24O/c1-9(2)12-7-14-10(3)5-13(16)6-11(4)15(14)8-12/h5,11,13-16H,6-8H2,1-4H3

InChIKey:
INIOTLARNNSXAE-UHFFFAOYSA-N

DeepSMILES:
OCCCC)CCC=C7)C))CC=CC)C))C5

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC2C=CCCCC2C1

Scaffold Graph/Node level:
CC1CC2CCCCCC2C1

Scaffold Graph level:
CC1CC2CCCCCC2C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Cadinane sesquiterpenoids

NP-Likeness score: 2.303

---

Chemical structure download