01
当归
Dang Gui / Angelicae Sinensis Radix; Radix Angelicae Sinensis
Dang GuiAngelicae Sinensis Radix; Radix Angelicae Sinensis
Ingredients
(z)-2-[[(z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoic acid
C10H14O4
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 3
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (z)-2-[[(z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoic acid
- Molecular Formula
- C10H14O4
- Molecular Weight
- No data
- Canonical SMILES
- CC=C(C)C(=O)OCC(=CC)C(=O)O
- Isomeric SMILES
- C/C=C(/C)\C(=O)OC/C(=C/C)/C(=O)O
- InChI
- InChI=1S/C10H14O4/c1-4-7(3)10(13)14-6-8(5-2)9(11)12/h4-5H,6H2,1-3H3,(H,11,12)/b7-4-,8-5-
- Oral Bioavailability
- 77.101
- Drug Likeness
- 0.549
- 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