01
白芍
Bai Shao / Radix Paeoniae Alba; Paeoniae Radix Alba
Bai ShaoRadix Paeoniae Alba; Paeoniae Radix Alba
Ingredients
[(3s,3ar,6s,7ar)-6-hydroxy-6-methyl-2,5-dioxo-3a,4,7,7a-tetrahydro-3h-benzofuran-3-yl]methyl benzoate
C17H18O6
- Entity Type
- Ingredients
- Relation Groups
- 4
- Relation Preview
- 25
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- [(3s,3ar,6s,7ar)-6-hydroxy-6-methyl-2,5-dioxo-3a,4,7,7a-tetrahydro-3h-benzofuran-3-yl]methyl benzoate
- Molecular Formula
- C17H18O6
- Molecular Weight
- No data
- Canonical SMILES
- CC1(CC2C(CC1=O)C(C(=O)O2)COC(=O)C3=CC=CC=C3)O
- Isomeric SMILES
- CC1(CC2C(CC1=O)C(C(=O)O2)COC(=O)C3=CC=CC=C3)O
- InChI
- InChI=1S/C17H18O6/c1-17(21)8-13-11(7-14(17)18)12(16(20)23-13)9-22-15(19)10-5-3-2-4-6-10/h2-6,11-13,21H,7-9H2,1H3
- Oral Bioavailability
- 17.843
- Drug Likeness
- 0.840
- 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