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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

Trigonelline

C7H7NO2

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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
Trigonelline
Molecular Formula
C7H7NO2
Molecular Weight
No data
Canonical SMILES
C[N+]1=CC=CC(=C1)C(=O)[O-]
Isomeric SMILES
C[N+]1=CC=CC(=C1)C(=O)[O-]
InChI
InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3
Oral Bioavailability
No data
Drug Likeness
0.460
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
03
ATF2
activating transcription factor 2
activating transcription factor 2
DetailsGraph
04
BAX
BCL2 associated X, apoptosis regulator
BCL2 associated X, apoptosis regulator
DetailsGraph