Summary

IMPPAT Phytochemical identifier: IMPHY017662

Phytochemical name: [10]-Shogaol

Synonymous chemical names:
trans-10-shogaol

External chemical identifiers:
CID:6442612, ChEMBL:CHEMBL24226, ZINC:ZINC000014263020, FDASRS:UP39BHE708, SureChEMBL:SCHEMBL4885150, MolPort-001-741-449

---

Chemical structure information

SMILES:
CCCCCCCCC/C=C/C(=O)CCc1ccc(c(c1)OC)O

InChI:
InChI=1S/C21H32O3/c1-3-4-5-6-7-8-9-10-11-12-19(22)15-13-18-14-16-20(23)21(17-18)24-2/h11-12,14,16-17,23H,3-10,13,15H2,1-2H3/b12-11+

InChIKey:
FADFGCOCHHNRHF-VAWYXSNFSA-N

DeepSMILES:
CCCCCCCCC/C=C/C=O)CCcccccc6)OC)))O

Functional groups:
C/C=C/C(C)=O, 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: Polyketides

NP Classifier Superclass: Aromatic polyketides

NP Classifier Class: Catechols with side chains

NP-Likeness score: 1.331

---

Chemical structure download