Bioactive Compound Details
| BioID | bio200132 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL464993 |
| Molecular Formula | C21H28O9 |
| Molecular Weight | 424.45 |
| Molecular Weight (Monoisotopic) | 424.1733 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Hycandinincacidester-2 |
| Smiles | CCCCOC(=O)[C@@]1(O)CC(O)[C@H](OC(=O)/C=C/c2ccc(O)c(OC)c2)[C@H](O)C1 |
| Inchi | InChI=1S/C21H28O9/c1-3-4-9-29-20(26)21(27)11-15(23)19(16(24)12-21)30-18(25)8-6-13-5-7-14(22)17(10-13)28-2/h5-8,10,15-16,19,22-24,27H,3-4,9,11-12H2,1-2H3/b8-6+/t15-,16?,19-,21+/m1/s1 |
| Inchi Key | CFSGXVCRNZCANZ-MQZZWCQYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 1.52 |
| Records Key | ['3'] |
| Records Name | ['hycandinincacidester-2'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
