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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

Sphondin

C12H8O4

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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
Sphondin
Molecular Formula
C12H8O4
Molecular Weight
No data
Canonical SMILES
COC1=C2C(=C3C(=C1)C=CC(=O)O3)C=CO2
Isomeric SMILES
COC1=C2C(=C3C(=C1)C=CC(=O)O3)C=CO2
InChI
InChI=1S/C12H8O4/c1-14-9-6-7-2-3-10(13)16-11(7)8-4-5-15-12(8)9/h2-6H,1H3
Oral Bioavailability
42.990
Drug Likeness
0.586
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
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