01
天葵子
Tian Kui Zi / Semiaquilegiae Radix; Radix Semiaquilegiae
Tian Kui ZiSemiaquilegiae Radix; Radix Semiaquilegiae
Ingredients
(1r,2r)-bis((s)-2-ethylhexyl) cyclohexane-1,2-dicarboxylate
C24H44O4
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 5
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (1r,2r)-bis((s)-2-ethylhexyl) cyclohexane-1,2-dicarboxylate
- Molecular Formula
- C24H44O4
- Molecular Weight
- No data
- Canonical SMILES
- CCCCC(CC)COC(=O)C1CCCCC1C(=O)OCC(CC)CCCC
- Isomeric SMILES
- CCCC[C@H](CC)COC(=O)[C@@H]1CCCC[C@H]1C(=O)OC[C@@H](CC)CCCC
- InChI
- InChI=1S/C24H44O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h19-22H,5-18H2,1-4H3/t19-,20-,21+,22+/m0/s1
- Oral Bioavailability
- 29.380
- Drug Likeness
- 0.323
- 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