01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 8
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (8r,8'r)-4-hydroxycubebinone
- Molecular Formula
- C22H24O8
- Molecular Weight
- No data
- Canonical SMILES
- COC1=CC(=CC(=C1O)OC)CC2COC(=O)C2CC3=CC4=C(C(=C3)OC)OCO4
- Isomeric SMILES
- COC1=CC(=CC(=C1O)OC)C[C@H]2COC(=O)[C@@H]2CC3=CC4=C(C(=C3)OC)OCO4
- InChI
- InChI=1S/C22H24O8/c1-25-16-6-12(7-17(26-2)20(16)23)4-14-10-28-22(24)15(14)5-13-8-18(27-3)21-19(9-13)29-11-30-21/h6-9,14-15,23H,4-5,10-11H2,1-3H3/t14-,15+/m0/s1
- Oral Bioavailability
- No data
- Drug Likeness
- 0.689
- 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