Bioactive Compound Details
| BioID | bio156 |
|---|---|
| Name | LONGIROSTRERONE C |
| ChEMBL ID | CHEMBL1939682 |
| Molecular Formula | C32H38O6 |
| Molecular Weight | 518.65 |
| Molecular Weight (Monoisotopic) | 518.2668 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | longirostrerone C |
| Smiles | CCC(C)CC(C)/C=C(C)/C=C/C(=O)[C@H]1C(=O)O[C@@]2(C)C(=O)C=C3C=C([C@H]4C(=O)C=CC[C@@H]4C)OC=C3[C@@H]12 |
| Inchi | InChI=1S/C32H38O6/c1-7-18(2)13-20(4)14-19(3)11-12-25(34)29-30-23-17-37-26(28-21(5)9-8-10-24(28)33)15-22(23)16-27(35)32(30,6)38-31(29)36/h8,10-12,14-18,20-21,28-30H,7,9,13H2,1-6H3/b12-11+,19-14+/t18?,20?,21-,28+,29+,30-,32-/m0/s1 |
| Inchi Key | HOGGEAXXACLKBX-OPYHNVJQSA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 2.9 |
| Records Key | ['3, longirostrerone C'] |
| Records Name | ['(6aR,9S,9aR)-6a-methyl-3-((1S,6S)-6-methyl-2-oxocyclohex-3-enyl)-9-(4,6,8-trimethyldeca-2,4-dienoyl)-9,9a-dihydro-6H-furo[2,3-h]isochromene-6,8(6aH)-dione'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
