Bioactive Compound Details
| BioID | bio199549 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL505987 |
| Molecular Formula | C31H33NO8 |
| Molecular Weight | 547.6 |
| Molecular Weight (Monoisotopic) | 547.2206 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Demethylspeciosine Diacetate |
| Smiles | COc1cc2c(c(OC)c1OC(C)=O)-c1ccc(OC)c(=O)cc1[C@@H](N(C)Cc1ccccc1OC(C)=O)CC2 |
| Inchi | InChI=1S/C31H33NO8/c1-18(33)39-26-10-8-7-9-21(26)17-32(3)24-13-11-20-15-28(37-5)30(40-19(2)34)31(38-6)29(20)22-12-14-27(36-4)25(35)16-23(22)24/h7-10,12,14-16,24H,11,13,17H2,1-6H3/t24-/m0/s1 |
| Inchi Key | NTBQAFRMNVNCLL-DEOSSOPVSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 0.49 |
| Records Key | ['8'] |
| Records Name | ['2-demethylSpeciosine diacetate'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
