01
穿心莲
Chuan Xin Lian / Herba Andrographis; Andrographis Herba
Chuan Xin LianHerba Andrographis; Andrographis Herba
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 14-deoxy-12-methoxyandrographolide
- Molecular Formula
- C21H32O5
- Molecular Weight
- No data
- Canonical SMILES
- CC12CCC(C(C1CCC(=C)C2CC(C3=CCOC3=O)OC)(C)CO)O
- Isomeric SMILES
- C[C@@]12CC[C@H]([C@@](C1CCC(=C)[C@H]2CC(C3=CCOC3=O)OC)(C)CO)O
- InChI
- InChI=1S/C21H32O5/c1-13-5-6-17-20(2,9-7-18(23)21(17,3)12-22)15(13)11-16(25-4)14-8-10-26-19(14)24/h8,15-18,22-23H,1,5-7,9-12H2,2-4H3/t15-,16?,17?,18-,20+,21+/m1/s1
- Oral Bioavailability
- 70.291
- Drug Likeness
- 0.579
- 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