01
Ingredients
Apigenin-4'-o-(2',6''-di-o-p-coumaroyl)-beta-d-glucoside
C39H32O14
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 2
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Apigenin-4'-o-(2',6''-di-o-p-coumaroyl)-beta-d-glucoside
- Molecular Formula
- C39H32O14
- Molecular Weight
- No data
- Canonical SMILES
- C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=CC=C(C=C3)C4=CC(=O)C5=C(C=C(C=C5O4)O)O)OC(=O)C=CC6=CC=C(C=C6)O)O)O)O
- Isomeric SMILES
- C1=CC(=CC=C1/C=C/C(=O)OC[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)OC3=CC=C(C=C3)C4=CC(=O)C5=C(C=C(C=C5O4)O)O)OC(=O)/C=C/C6=CC=C(C=C6)O)O)O)O
- InChI
- InChI=1S/C39H32O14/c40-24-9-1-21(2-10-24)5-15-33(45)49-20-32-36(47)37(48)38(53-34(46)16-6-22-3-11-25(41)12-4-22)39(52-32)50-27-13-7-23(8-14-27)30-19-29(44)35-28(43)17-26(42)18-31(35)51-30/h1-19,32,36-43,47-48H,20H2/b15-5+,16-6+/t32-,36-,37+,38-,39-/m0/s1
- Oral Bioavailability
- No data
- Drug Likeness
- 0.089
- 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