Bioactive Compound Details
| BioID | bio198050 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL2017889 |
| Molecular Formula | C32H48O7 |
| Molecular Weight | 544.73 |
| Molecular Weight (Monoisotopic) | 544.34 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Deoxy-Dihydrocucurbitacin B |
| Smiles | CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](CCC(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C |
| Inchi | InChI=1S/C32H48O7/c1-18(33)39-27(2,3)15-14-24(36)32(9,38)26-21(34)16-29(6)22-12-10-19-20(11-13-23(35)28(19,4)5)31(22,8)25(37)17-30(26,29)7/h10,20-22,26,34,38H,11-17H2,1-9H3/t20-,21-,22+,26+,29+,30-,31+,32+/m1/s1 |
| Inchi Key | VESQSSZIPHIPPQ-LXGCCNARSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 2.79 |
| Records Key | ['27'] |
| Records Name | ['2-deoxy-dihydrocucurbitacin B'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
