Summary

IMPPAT Phytochemical identifier: IMPHY012692

Phytochemical name: Vetivenol

Synonymous chemical names:
vetivenol

External chemical identifiers:
CID:3085365, SureChEMBL:SCHEMBL2318806

---

Chemical structure information

SMILES:
OC1C[C@@H](C)[C@@]2(C(=C1)C)CCC(=C(C)C)C2

InChI:
InChI=1S/C15H24O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12,14,16H,5-6,8-9H2,1-4H3/t12-,14?,15+/m1/s1

InChIKey:
XCEXBRKEGXBUJE-ATFAPYMMSA-N

DeepSMILES:
OCC[C@@H]C)[C@@]C=C6)C))CCC=CC)C))C5

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2(C=CCCC2)C1

Scaffold Graph/Node level:
CC1CCC2(CCCCC2)C1

Scaffold Graph level:
CC1CCC2(CCCCC2)C1

---

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: Spirovetivane sesquiterpenoids

NP-Likeness score: 2.791

---

Chemical structure download