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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

Demethylcoclaurine

C16H17NO3

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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
Demethylcoclaurine
Molecular Formula
C16H17NO3
Molecular Weight
No data
Canonical SMILES
C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC=C(C=C3)O
Isomeric SMILES
C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC=C(C=C3)O
InChI
InChI=1S/C16H17NO3/c18-12-3-1-10(2-4-12)7-14-13-9-16(20)15(19)8-11(13)5-6-17-14/h1-4,8-9,14,17-20H,5-7H2
Oral Bioavailability
No data
Drug Likeness
0.632
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
04
BAX
BCL2 associated X, apoptosis regulator
BCL2 associated X, apoptosis regulator
DetailsGraph