01
Ingredients
3'-[gamma-hydroxymethyl-(e)-gamma-methylallyl]-2,4,2',4'-tetrahydroxychalcone 11'-o-coumarate
C29H26O8
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 2
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 3'-[gamma-hydroxymethyl-(e)-gamma-methylallyl]-2,4,2',4'-tetrahydroxychalcone 11'-o-coumarate
- Molecular Formula
- C29H26O8
- Molecular Weight
- No data
- Canonical SMILES
- CC(=CCC1=C(C=CC(=C1O)C(=O)C=CC2=C(C=C(C=C2)O)O)O)COC(=O)C=CC3=CC=C(C=C3)O
- Isomeric SMILES
- C/C(=C\CC1=C(C=CC(=C1O)C(=O)/C=C/C2=C(C=C(C=C2)O)O)O)/COC(=O)/C=C/C3=CC=C(C=C3)O
- InChI
- InChI=1S/C29H26O8/c1-18(17-37-28(35)15-5-19-3-8-21(30)9-4-19)2-11-23-26(33)14-12-24(29(23)36)25(32)13-7-20-6-10-22(31)16-27(20)34/h2-10,12-16,30-31,33-34,36H,11,17H2,1H3/b13-7+,15-5+,18-2+
- Oral Bioavailability
- No data
- Drug Likeness
- 0.121
- 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