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
Ingredients
(4bs,8as,10s)-10-hydroxy-2-isopropyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-3,4-dione
C20H28O3
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (4bs,8as,10s)-10-hydroxy-2-isopropyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-3,4-dione
- Molecular Formula
- C20H28O3
- Molecular Weight
- No data
- Canonical SMILES
- CC(C)C1=CC2=C(C(=O)C1=O)C3(CCCC(C3CC2O)(C)C)C
- Isomeric SMILES
- CC(C)C1=CC2=C(C(=O)C1=O)[C@]3(CCCC([C@@H]3C[C@@H]2O)(C)C)C
- InChI
- InChI=1S/C20H28O3/c1-11(2)12-9-13-14(21)10-15-19(3,4)7-6-8-20(15,5)16(13)18(23)17(12)22/h9,11,14-15,21H,6-8,10H2,1-5H3/t14-,15-,20-/m0/s1
- Oral Bioavailability
- 26.246
- Drug Likeness
- 0.594
- 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