Bioactive Compound Details
| BioID | bio199151 |
|---|---|
| Name | 3,6-O,O-DIPROPIONYL-3-DETIGLOYL-2-HYDROXYISOSWIETENINE |
| ChEMBL ID | CHEMBL2271722 |
| Molecular Formula | C33H42O11 |
| Molecular Weight | 614.69 |
| Molecular Weight (Monoisotopic) | 614.2727 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | None |
| Smiles | CCOC(=O)[C@@H](C(=O)OC)[C@H]1C(C)(C)[C@H](C(=O)OCC)[C@]2(O)C=C3[C@@H]4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]3[C@@]1(C)C2=O |
| Inchi | InChI=1S/C33H42O11/c1-8-42-27(36)22(26(35)40-7)23-30(3,4)24(28(37)43-9-2)33(39)15-18-19(32(23,6)29(33)38)10-12-31(5)20(18)14-21(34)44-25(31)17-11-13-41-16-17/h11,13,15-16,19-20,22-25,39H,8-10,12,14H2,1-7H3/t19-,20-,22+,23-,24-,25-,31+,32+,33+/m0/s1 |
| Inchi Key | QABPOHCNJQYHAM-RLKOSCQPSA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 1.79 |
| Records Key | ['25'] |
| Records Name | ['3,6-O,O-dipropionyl-3-detigloyl-2-hydroxyisoswietenine'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
