01
九里香
Jiu Li Xiang / Folium et Cacumen Murrayae; Murrayae Folium et Cacumen
Jiu Li XiangFolium et Cacumen Murrayae; Murrayae Folium et Cacumen
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 8
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 5,7-dimethoxy-8-(3'-methyl-2'-oxobutyl)coumarin
- Molecular Formula
- C16H18O5
- Molecular Weight
- No data
- Canonical SMILES
- CC(C)C(=O)CC1=C(C=C(C2=C1OC(=O)C=C2)OC)OC
- Isomeric SMILES
- CC(C)C(=O)CC1=C(C=C(C2=C1OC(=O)C=C2)OC)OC
- InChI
- InChI=1S/C16H18O5/c1-9(2)12(17)7-11-14(20-4)8-13(19-3)10-5-6-15(18)21-16(10)11/h5-6,8-9H,7H2,1-4H3
- Oral Bioavailability
- No data
- Drug Likeness
- 0.792
- 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