Bioactive Compound Details
| BioID | bio200225 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL497060 |
| Molecular Formula | C27H29NO6 |
| Molecular Weight | 463.53 |
| Molecular Weight (Monoisotopic) | 463.1995 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Demethylspeciosine |
| Smiles | COc1cc2c(c(OC)c1O)-c1ccc(OC)c(=O)cc1[C@@H](N(C)Cc1ccccc1O)CC2 |
| Inchi | InChI=1S/C27H29NO6/c1-28(15-17-7-5-6-8-21(17)29)20-11-9-16-13-24(33-3)26(31)27(34-4)25(16)18-10-12-23(32-2)22(30)14-19(18)20/h5-8,10,12-14,20,29,31H,9,11,15H2,1-4H3/t20-/m0/s1 |
| Inchi Key | GIMKKBXYBJRFFI-FQEVSTJZSA-N |
| Molecular Species | BASE |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 0.74 |
| Records Key | ['7'] |
| Records Name | ['2-demethylSpeciosine'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
