01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 5
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Alphaviniferin
- Molecular Formula
- C42H30O9
- Molecular Weight
- No data
- Canonical SMILES
- C1=CC(=CC=C1C2C3C4=C5C(C(OC5=CC(=C4)O)C6=CC=C(C=C6)O)C7=C8C(C(OC8=CC(=C7)O)C9=CC=C(C=C9)O)C1=C3C(=CC(=C1)O)O2)O
- Isomeric SMILES
- C1=CC(=CC=C1C2[C@@H]3C4=C5[C@@H](C(OC5=CC(=C4)O)C6=CC=C(C=C6)O)C7=C8[C@@H](C(OC8=CC(=C7)O)C9=CC=C(C=C9)O)C1=C3C(=CC(=C1)O)O2)O
- InChI
- InChI=1S/C42H30O9/c43-22-7-1-19(2-8-22)40-37-28-13-25(46)17-32-35(28)39(42(50-32)21-5-11-24(45)12-6-21)30-15-27(48)18-33-36(30)38(29-14-26(47)16-31(49-40)34(29)37)41(51-33)20-3-9-23(44)10-4-20/h1-18,37-48H/t37-,38-,39+,40?,41?,42?/m0/s1
- Oral Bioavailability
- No data
- Drug Likeness
- 0.109
- 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.
