Summary

IMPPAT Phytochemical identifier: IMPHY006917

Phytochemical name: Methyl-[12]-Gingediol

Synonymous chemical names:
methylgingediol

External chemical identifiers:
CID:86196543

---

Chemical structure information

SMILES:
CCCCCCCCCCCC(CC(CCc1ccc(c(c1)OC)OC)O)O

InChI:
InChI=1S/C24H42O4/c1-4-5-6-7-8-9-10-11-12-13-21(25)19-22(26)16-14-20-15-17-23(27-2)24(18-20)28-3/h15,17-18,21-22,25-26H,4-14,16,19H2,1-3H3

InChIKey:
JPTWXRLYILAXIR-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCcccccc6)OC)))OC))))))))O)))O

Functional groups:
CO, cOC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Aromatic polyketides

NP Classifier Class: Catechols with side chains

NP-Likeness score: 0.745

---

Chemical structure download