Summary

IMPPAT Phytochemical identifier: IMPHY002194

Phytochemical name: Khusol

Synonymous chemical names:
khusol

External chemical identifiers:
CID:12304863

---

Chemical structure information

SMILES:
OCC(C1CCC(=C)C2C1C=C(C)CC2)C

InChI:
InChI=1S/C15H24O/c1-10-4-6-13-11(2)5-7-14(12(3)9-16)15(13)8-10/h8,12-16H,2,4-7,9H2,1,3H3

InChIKey:
MYDKPYLMJFRWOU-UHFFFAOYSA-N

DeepSMILES:
OCCCCCC=C)CC6C=CC)CC6))))))))))C

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC2C=CCCC12

Scaffold Graph/Node level:
CC1CCCC2CCCCC12

Scaffold Graph level:
CC1CCCC2CCCCC12

---

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: 3.305

---

Chemical structure download