01
大黄
Da Huang / Radix et Rhizoma Rhei; Rhei Radix et Rhizoma
Da HuangRadix et Rhizoma Rhei; Rhei Radix et Rhizoma
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Zinc04081604
- Molecular Formula
- C21H30O2
- Molecular Weight
- No data
- Canonical SMILES
- CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
- Isomeric SMILES
- CC(=O)[C@H]1CC[C@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
- InChI
- InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18+,19-,20-,21+/m0/s1
- Oral Bioavailability
- 15.232
- Drug Likeness
- 0.701
- 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