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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

4-hydroxy-3-butylphthalide

C12H14O3

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Entity Type
Ingredients
Relation Groups
2
Relation Preview
11

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
4-hydroxy-3-butylphthalide
Molecular Formula
C12H14O3
Molecular Weight
No data
Canonical SMILES
CCCCC1C2=C(C=CC=C2O)C(=O)O1
Isomeric SMILES
CCCCC1C2=C(C=CC=C2O)C(=O)O1
InChI
InChI=1S/C12H14O3/c1-2-3-7-10-11-8(12(14)15-10)5-4-6-9(11)13/h4-6,10,13H,2-3,7H2,1H3
Oral Bioavailability
70.312
Drug Likeness
0.773
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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