Summary

IMPPAT Phytochemical identifier: IMPHY008662

Phytochemical name: (5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)octan-3-one

Synonymous chemical names:
gingerol, (4)-, gingerol,4-

External chemical identifiers:
CID:46901319

---

Chemical structure information

SMILES:
CCC[C@@H](CC(=O)CCc1ccc(c(c1)OC)O)O

InChI:
InChI=1S/C15H22O4/c1-3-4-12(16)10-13(17)7-5-11-6-8-14(18)15(9-11)19-2/h6,8-9,12,16,18H,3-5,7,10H2,1-2H3/t12-/m0/s1

InChIKey:
GDRKZARFCIYVCI-LBPRGKRZSA-N

DeepSMILES:
CCC[C@@H]CC=O)CCcccccc6)OC)))O)))))))))O

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

ClassyFire Class: Phenols

ClassyFire Subclass: Methoxyphenols

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: 1.508

---

Chemical structure download