01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 3
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 3-hydroxyneogrifolin
- Molecular Formula
- C22H32O3
- Molecular Weight
- No data
- Canonical SMILES
- CC1=CC(=C(C(=C1CC=C(C)CCC=C(C)CCC=C(C)C)O)O)O
- Isomeric SMILES
- CC1=CC(=C(C(=C1C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)O)O
- InChI
- InChI=1S/C22H32O3/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-19-18(5)14-20(23)22(25)21(19)24/h8,10,12,14,23-25H,6-7,9,11,13H2,1-5H3/b16-10+,17-12+
- Oral Bioavailability
- No data
- Drug Likeness
- 0.396
- 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