01
半边莲
Ban Bian Lian / Herba Lobeliae Chinensis; Lobeliae Chinensis Herba
Ban Bian LianHerba Lobeliae Chinensis; Lobeliae Chinensis Herba
Ingredients
(+)(2s,3r)-2,3-dihydro-2-(4-hydroxy-3-methoxy-phenyl)-3-hydroxy-methyl-7-methoxy-5-benzofuran propanoic acid ethyl ester
C22H26O7
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 10
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (+)(2s,3r)-2,3-dihydro-2-(4-hydroxy-3-methoxy-phenyl)-3-hydroxy-methyl-7-methoxy-5-benzofuran propanoic acid ethyl ester
- Molecular Formula
- C22H26O7
- Molecular Weight
- No data
- Canonical SMILES
- CC(=O)OCCCC1=CC2=C(C(=C1)OC)OC(C2CO)C3=CC(=C(C=C3)O)OC
- Isomeric SMILES
- CC(=O)OCCCC1=CC2=C(C(=C1)OC)O[C@H]([C@@H]2CO)C3=CC(=C(C=C3)O)OC
- InChI
- InChI=1S/C22H26O7/c1-13(24)28-8-4-5-14-9-16-17(12-23)21(29-22(16)20(10-14)27-3)15-6-7-18(25)19(11-15)26-2/h6-7,9-11,17,21,23,25H,4-5,8,12H2,1-3H3/t17-,21+/m1/s1
- Oral Bioavailability
- 9.784
- Drug Likeness
- 0.517
- 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 ingredient2 Herbs