Bioactive Compound Details
| BioID | bio197365 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL465667 |
| Molecular Formula | C29H38O9 |
| Molecular Weight | 530.61 |
| Molecular Weight (Monoisotopic) | 530.2516 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Roridin L-2 |
| Smiles | CC1=C[C@H]2O[C@@H]3C[C@@H](OC(=O)/C=C/C=C\C(OCCC4=CCOC4=O)C(C)O)[C@](C)([C@@]2(CO)CC1)[C@]31CO1 |
| Inchi | InChI=1S/C29H38O9/c1-18-8-11-28(16-30)23(14-18)37-24-15-22(27(28,3)29(24)17-36-29)38-25(32)7-5-4-6-21(19(2)31)34-12-9-20-10-13-35-26(20)33/h4-7,10,14,19,21-24,30-31H,8-9,11-13,15-17H2,1-3H3/b6-4-,7-5+/t19?,21?,22-,23-,24-,27-,28-,29+/m1/s1 |
| Inchi Key | QJTYSASOTORSFG-LEMRECQJSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 3.52 |
| Records Key | ['roridin L-2'] |
| Records Name | ['roridin L-2'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
