01
天山雪莲
Tian Shan Xue Lian / Herba Saussureae Involucratae; Saussureae Involucratae Herba
Tian Shan Xue LianHerba Saussureae Involucratae; Saussureae Involucratae Herba
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 6
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Neoechinulin a
- Molecular Formula
- C19H21N3O2
- Molecular Weight
- No data
- Canonical SMILES
- CC1C(=O)NC(=CC2=C(NC3=CC=CC=C32)C(C)(C)C=C)C(=O)N1
- Isomeric SMILES
- C[C@H]1C(=O)N/C(=C\C2=C(NC3=CC=CC=C32)C(C)(C)C=C)/C(=O)N1
- InChI
- InChI=1S/C19H21N3O2/c1-5-19(3,4)16-13(12-8-6-7-9-14(12)21-16)10-15-18(24)20-11(2)17(23)22-15/h5-11,21H,1H2,2-4H3,(H,20,24)(H,22,23)/b15-10-/t11-/m0/s1
- Oral Bioavailability
- No data
- Drug Likeness
- 0.600
- 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 ingredient2 Herbs