Summary

IMPPAT Phytochemical identifier: IMPHY015396

Phytochemical name: 4alpha-Hydroxydihydroagarofuran

Synonymous chemical names:
4α-hydroxydihydroagarofuran

External chemical identifiers:
CID:101998018

---

Chemical structure information

SMILES:
CC1(C)O[C@]23C[C@H]1CC[C@]3(C)CCC[C@@]2(C)O

InChI:
InChI=1S/C15H26O2/c1-12(2)11-6-9-13(3)7-5-8-14(4,16)15(13,10-11)17-12/h11,16H,5-10H2,1-4H3/t11-,13+,14-,15+/m1/s1

InChIKey:
XEAXSPJWIVZRTF-BEAPCOKYSA-N

DeepSMILES:
CCC)O[C@@]C[C@H]5CC[C@]6C)CCC[C@@]%10C)O

Functional groups:
CO, COC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC23CC(CCC2C1)CO3

Scaffold Graph/Node level:
C1CCC23CC(CCC2C1)CO3

Scaffold Graph level:
C1CCC23CCC(CCC2C1)C3

---

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: Agarofuran sesquiterpenoids

NP-Likeness score: 3.095

---

Chemical structure download