Bioactive Compound Details
| BioID | bio200368 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL493647 |
| Molecular Formula | C30H44O6 |
| Molecular Weight | 500.68 |
| Molecular Weight (Monoisotopic) | 500.3138 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Deoxycucurbitacin D |
| Smiles | CC(C)(O)/C=C/C(=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/C30H44O6/c1-25(2,35)14-13-22(33)30(8,36)24-19(31)15-27(5)20-11-9-17-18(10-12-21(32)26(17,3)4)29(20,7)23(34)16-28(24,27)6/h9,13-14,18-20,24,31,35-36H,10-12,15-16H2,1-8H3/b14-13+/t18-,19-,20+,24+,27+,28-,29+,30+/m1/s1 |
| Inchi Key | KMFVVUWIGLRRLZ-NTLQYXAJSA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 3.01 |
| Records Key | ['1'] |
| Records Name | ['2-deoxycucurbitacin D'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
