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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

Sinapaldehyde

C11H12O4

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Entity Type
Ingredients
Relation Groups
2
Relation Preview
16

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
Sinapaldehyde
Molecular Formula
C11H12O4
Molecular Weight
No data
Canonical SMILES
COC1=CC(=CC(=C1O)OC)C=CC=O
Isomeric SMILES
COC1=CC(=CC(=C1O)OC)/C=C/C=O
InChI
InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3/b4-3+
Oral Bioavailability
63.164
Drug Likeness
0.603
DL Score
No data
Caco-2 Permeability
No data
ALogP
No data
Bioavailability Score
No data

Identifiers

InChI Key
No data
PubChem CID
No data

Description and Extensions

Toxicity Information
No data
Related

Related Entities

Direct relations and traceable candidates grouped by relation type.

Source HerbsActive Targets

Active Targets

ingredient target8 Targets
GraphMore Targets
04
GABRA1
gamma-aminobutyric acid type A receptor subunit alpha1
gamma-aminobutyric acid type A receptor subunit alpha1
DetailsGraph
06
PTGS1
prostaglandin-endoperoxide synthase 1
prostaglandin-endoperoxide synthase 1
DetailsGraph
07
PTGS2
prostaglandin-endoperoxide synthase 2
prostaglandin-endoperoxide synthase 2
DetailsGraph