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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

Isovanillin

C8H8O3

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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
Isovanillin
Molecular Formula
C8H8O3
Molecular Weight
No data
Canonical SMILES
COC1=C(C=C(C=C1)C=O)O
Isomeric SMILES
COC1=C(C=C(C=C1)C=O)O
InChI
InChI=1S/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H3
Oral Bioavailability
31.006
Drug Likeness
0.648
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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