01
川芎
Chuan Xiong / Rhizoma Chuanxiong; Chuanxiong Rhizoma
Chuan XiongRhizoma Chuanxiong; Chuanxiong Rhizoma
Ingredients
4h-1-benzopyran-4-one,3-((6-o-acetyl-beta-d-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-
C24H24O12
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 8
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 4h-1-benzopyran-4-one,3-((6-o-acetyl-beta-d-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-
- Molecular Formula
- C24H24O12
- Molecular Weight
- No data
- Canonical SMILES
- CC(=O)OCC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)OC)C4=CC=C(C=C4)O)O)O)O
- Isomeric SMILES
- CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)OC)C4=CC=C(C=C4)O)O)O)O
- InChI
- InChI=1S/C24H24O12/c1-10(25)33-9-16-18(28)20(30)21(31)24(35-16)36-23-19(29)17-14(27)7-13(32-2)8-15(17)34-22(23)11-3-5-12(26)6-4-11/h3-8,16,18,20-21,24,26-28,30-31H,9H2,1-2H3/t16-,18-,20+,21-,24+/m1/s1
- Oral Bioavailability
- 3.427
- Drug Likeness
- 0.295
- 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 ingredient7 Herbs
02
03
木贼
Mu Zei / Herba Equiseti Hiemalis; Equiseti Hiemalis Herba
Mu ZeiHerba Equiseti Hiemalis; Equiseti Hiemalis Herba
04
沙苑子
Sha Yuan Zi / Astragali Complanati Semen; Semen Astragali Complanati
Sha Yuan ZiAstragali Complanati Semen; Semen Astragali Complanati
05
猫爪草
Mao Zhua Cao / Ranunculi Ternati Radix; Radix Ranunculi Ternati
Mao Zhua CaoRanunculi Ternati Radix; Radix Ranunculi Ternati
06
07
车前草
Che Qian Cao / Plantaginis Herba; Herba Plantaginis
Che Qian CaoPlantaginis Herba; Herba Plantaginis