01
薤白
Xie Bai / Allii Macrostemonis Bulbus; Bulbus Allii Macrostemonis
Xie BaiAllii Macrostemonis Bulbus; Bulbus Allii Macrostemonis
Ingredients
(1r,3r)-1-methyl-2,3,4,9-tetrahydro-1h-$b-carboline-3-carboxylic acid
C13H14N2O2
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (1r,3r)-1-methyl-2,3,4,9-tetrahydro-1h-$b-carboline-3-carboxylic acid
- Molecular Formula
- C13H14N2O2
- Molecular Weight
- No data
- Canonical SMILES
- CC1C2=C(CC(N1)C(=O)O)C3=CC=CC=C3N2
- Isomeric SMILES
- C[C@@H]1C2=C(C[C@@H](N1)C(=O)O)C3=CC=CC=C3N2
- InChI
- InChI=1S/C13H14N2O2/c1-7-12-9(6-11(14-7)13(16)17)8-4-2-3-5-10(8)15-12/h2-5,7,11,14-15H,6H2,1H3,(H,16,17)/t7-,11-/m1/s1
- Oral Bioavailability
- 87.569
- Drug Likeness
- 0.700
- 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 Herbs
herb ingredient1 Herbs