Bioactive Compound Details
| BioID | bio199565 |
|---|---|
| Name | 2-HYDROXYSWIETENINE |
| ChEMBL ID | CHEMBL2271727 |
| Molecular Formula | C32H40O10 |
| Molecular Weight | 584.66 |
| Molecular Weight (Monoisotopic) | 584.2621 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | None |
| Smiles | C/C=C(\C)OC(=O)[C@H]1C(C)(C)[C@H]([C@@H](O)C(=O)OC)[C@]2(C)C(=O)[C@@]1(O)C=C1[C@@H]3CC(=O)O[C@@H](c4ccoc4)[C@]3(C)CC[C@@H]12 |
| Inchi | InChI=1S/C32H40O10/c1-8-16(2)41-27(36)24-29(3,4)23(22(34)26(35)39-7)31(6)19-9-11-30(5)20(18(19)14-32(24,38)28(31)37)13-21(33)42-25(30)17-10-12-40-15-17/h8,10,12,14-15,19-20,22-25,34,38H,9,11,13H2,1-7H3/b16-8+/t19-,20-,22+,23-,24-,25-,30+,31+,32+/m0/s1 |
| Inchi Key | OKSOKDSKQGUUCI-YXRPLECISA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 2.25 |
| Records Key | ['5'] |
| Records Name | ['2-hydroxyswietenine'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
