01
细辛
Xi Xin / Radix et Rhizoma Asari; Asari Radix et Rhizoma
Xi XinRadix et Rhizoma Asari; Asari Radix et Rhizoma
Ingredients
(3s)-7-hydroxy-3-(2,3,4-trimethoxyphenyl)chroman-4-one
C18H18O6
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 10
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (3s)-7-hydroxy-3-(2,3,4-trimethoxyphenyl)chroman-4-one
- Molecular Formula
- C18H18O6
- Molecular Weight
- No data
- Canonical SMILES
- COC1=C(C(=C(C=C1)C2COC3=C(C2=O)C=CC(=C3)O)OC)OC
- Isomeric SMILES
- COC1=C(C(=C(C=C1)[C@H]2COC3=C(C2=O)C=CC(=C3)O)OC)OC
- InChI
- InChI=1S/C18H18O6/c1-21-14-7-6-11(17(22-2)18(14)23-3)13-9-24-15-8-10(19)4-5-12(15)16(13)20/h4-8,13,19H,9H2,1-3H3/t13-/m1/s1
- Oral Bioavailability
- 48.230
- Drug Likeness
- 0.929
- 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