01
丹参
Dan Shen / Radix et Rhizoma Salviae Miltiorrhizae; Salviae Miltiorrhizae Radix et Rhizoma
Dan ShenRadix et Rhizoma Salviae Miltiorrhizae; Salviae Miltiorrhizae Radix et Rhizoma
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 3
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Salvianolic acid j
- Molecular Formula
- C27H22O12
- Molecular Weight
- No data
- Canonical SMILES
- C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC3=C(C=C2)OC(C(O3)C(=O)O)C4=CC(=C(C=C4)O)O)O)O
- Isomeric SMILES
- C1=CC(=C(C=C1CC(C(=O)O)OC(=O)/C=C/C2=CC3=C(C=C2)O[C@@H]([C@@H](O3)C(=O)O)C4=CC(=C(C=C4)O)O)O)O
- InChI
- InChI=1S/C27H22O12/c28-16-5-1-14(9-18(16)30)11-22(26(33)34)37-23(32)8-3-13-2-7-20-21(10-13)39-25(27(35)36)24(38-20)15-4-6-17(29)19(31)12-15/h1-10,12,22,24-25,28-31H,11H2,(H,33,34)(H,35,36)/b8-3+/t22?,24-,25-/m1/s1
- Oral Bioavailability
- 43.376
- Drug Likeness
- 0.139
- 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