Bioactive Compound Details
| BioID | bio198339 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL465195 |
| Molecular Formula | C27H34O12 |
| Molecular Weight | 550.56 |
| Molecular Weight (Monoisotopic) | 550.205 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Triacetylhycandinincacidester-2 |
| Smiles | CCCCOC(=O)[C@@]1(O)CC(OC(C)=O)[C@H](OC(=O)/C=C/c2ccc(OC(C)=O)c(OC)c2)[C@H](OC(C)=O)C1 |
| Inchi | InChI=1S/C27H34O12/c1-6-7-12-35-26(32)27(33)14-22(37-17(3)29)25(23(15-27)38-18(4)30)39-24(31)11-9-19-8-10-20(36-16(2)28)21(13-19)34-5/h8-11,13,22-23,25,33H,6-7,12,14-15H2,1-5H3/b11-9+/t22-,23?,25-,27+/m1/s1 |
| Inchi Key | YOKSFEWXBLWKHF-WLBRDLJKSA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 1.25 |
| Records Key | ['3a'] |
| Records Name | ['triacetylhycandinincacidester-2'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
