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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

Trans-caffeic acid

C9H8O4

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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
Trans-caffeic acid
Molecular Formula
C9H8O4
Molecular Weight
No data
Canonical SMILES
C1=CC(=C(C=C1C=CC(=O)O)O)O
Isomeric SMILES
C1=CC(=C(C=C1/C=C/C(=O)O)O)O
InChI
InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
Oral Bioavailability
No data
Drug Likeness
0.472
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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Xian He Cao / Agrimoniae Herba; Herba Agrimoniae
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