01
Ingredients
(2r,3r,4s)-4-(4-hydroxy-3,5-dimethoxy-phenyl)-5,7-dimethoxy-2,3-dimethylol-tetralin-6-ol
C22H28O8
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 13
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (2r,3r,4s)-4-(4-hydroxy-3,5-dimethoxy-phenyl)-5,7-dimethoxy-2,3-dimethylol-tetralin-6-ol
- Molecular Formula
- C22H28O8
- Molecular Weight
- No data
- Canonical SMILES
- COC1=CC(=CC(=C1O)OC)C2C(C(CC3=CC(=C(C(=C23)OC)O)OC)CO)CO
- Isomeric SMILES
- COC1=CC(=CC(=C1O)OC)[C@@H]2[C@H]([C@@H](CC3=CC(=C(C(=C23)OC)O)OC)CO)CO
- InChI
- InChI=1S/C22H28O8/c1-27-15-7-12(8-16(28-2)20(15)25)18-14(10-24)13(9-23)5-11-6-17(29-3)21(26)22(30-4)19(11)18/h6-8,13-14,18,23-26H,5,9-10H2,1-4H3/t13-,14-,18+/m0/s1
- Oral Bioavailability
- 4.868
- Drug Likeness
- 0.538
- 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
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