01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 2
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 1-formylneogrifolin
- Molecular Formula
- C23H32O3
- Molecular Weight
- No data
- Canonical SMILES
- CC1=C(C(=C(C=C1C=O)O)O)CC=C(C)CCC=C(C)CCC=C(C)C
- Isomeric SMILES
- CC1=C(C(=C(C=C1C=O)O)O)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
- InChI
- InChI=1S/C23H32O3/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-21-19(5)20(15-24)14-22(25)23(21)26/h8,10,12,14-15,25-26H,6-7,9,11,13H2,1-5H3/b17-10+,18-12+
- Oral Bioavailability
- No data
- Drug Likeness
- 0.315
- 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.
Active Targets
ingredient target1 Targets