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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

Betonicine

C7H13NO3

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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
Betonicine
Molecular Formula
C7H13NO3
Molecular Weight
No data
Canonical SMILES
C[N+]1(CC(CC1C(=O)[O-])O)C
Isomeric SMILES
C[N+]1(C[C@@H](C[C@H]1C(=O)[O-])O)C
InChI
InChI=1S/C7H13NO3/c1-8(2)4-5(9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3/t5-,6+/m1/s1
Oral Bioavailability
69.549
Drug Likeness
0.448
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.

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