Summary

IMPPAT Phytochemical identifier: IMPHY016922

Phytochemical name: 14-Hydroxi-δ-cadinene

Synonymous chemical names:
14-hydroxi-δ-cadinene, 14-hydroxy- δ -cadinene, 14-hydroxy-delta-cadinene, 14-hydroxy-δ-cadinene, 14-hydroxy-∆-cadinene

Chemical structure information

SMILES:
OCC1=CC2C(=C(C)CCC2C(C)C)CC1

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

InChIKey:
PSCGCYQLAZATGE-UHFFFAOYSA-N

DeepSMILES:
OCC=CCC=CC)CCC6CC)C))))))CC6

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCCC=C2CC1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

---

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: 2.497

---

Chemical structure download