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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

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Direct relations and traceable candidates grouped by relation type.

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