01
Ingredients
(2s)-2-(3,4-dihydroxyphenyl)-6-[(2e)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxychroman-4-one
C25H28O6
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (2s)-2-(3,4-dihydroxyphenyl)-6-[(2e)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxychroman-4-one
- Molecular Formula
- C25H28O6
- Molecular Weight
- No data
- Canonical SMILES
- CC(=CCCC(=CCC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC(=C(C=C3)O)O)O)C)C
- Isomeric SMILES
- CC(=CCC/C(=C/CC1=C(C2=C(C=C1O)O[C@@H](CC2=O)C3=CC(=C(C=C3)O)O)O)/C)C
- InChI
- InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-9-17-19(27)12-23-24(25(17)30)21(29)13-22(31-23)16-8-10-18(26)20(28)11-16/h5,7-8,10-12,22,26-28,30H,4,6,9,13H2,1-3H3/b15-7+/t22-/m0/s1
- Oral Bioavailability
- 1.213
- Drug Likeness
- 0.363
- 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 target8 Targets
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