01
升麻
Sheng Ma / Rhizoma Cimicifugae; Cimicifugae Rhizoma
Sheng MaRhizoma Cimicifugae; Cimicifugae Rhizoma
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 12
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Tuberosine a
- Molecular Formula
- C19H21NO5
- Molecular Weight
- No data
- Canonical SMILES
- COC1=C(C=CC(=C1)CCNC(=O)C=CC2=CC(=C(C=C2)O)OC)O
- Isomeric SMILES
- COC1=C(C=CC(=C1)CCNC(=O)/C=C\C2=CC(=C(C=C2)O)OC)O
- InChI
- InChI=1S/C19H21NO5/c1-24-17-11-13(3-6-15(17)21)5-8-19(23)20-10-9-14-4-7-16(22)18(12-14)25-2/h3-8,11-12,21-22H,9-10H2,1-2H3,(H,20,23)/b8-5-
- Oral Bioavailability
- 102.667
- Drug Likeness
- 0.672
- 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 ingredient4 Herbs