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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

2-(2,3,4-trihydroxyphenyl)acetonitrile

C8H7NO3

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Entity Type
Ingredients
Relation Groups
2
Relation Preview
9

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
2-(2,3,4-trihydroxyphenyl)acetonitrile
Molecular Formula
C8H7NO3
Molecular Weight
No data
Canonical SMILES
C1=CC(=C(C(=C1CC#N)O)O)O
Isomeric SMILES
C1=CC(=C(C(=C1CC#N)O)O)O
InChI
InChI=1S/C8H7NO3/c9-4-3-5-1-2-6(10)8(12)7(5)11/h1-2,10-12H,3H2
Oral Bioavailability
53.702
Drug Likeness
0.539
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

Related Entities

Direct relations and traceable candidates grouped by relation type.

Source HerbsActive Targets

Active Targets

ingredient target8 Targets
GraphMore Targets
01
ACHE
acetylcholinesterase (Cartwright blood group)
acetylcholinesterase (Cartwright blood group)
DetailsGraph