Bioactive Compound Details
| BioID | bio1330 |
|---|---|
| Name | CALANOLIDE C |
| ChEMBL ID | CHEMBL263086 |
| Molecular Formula | C22H26O5 |
| Molecular Weight | 370.45 |
| Molecular Weight (Monoisotopic) | 370.178 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | None |
| Smiles | CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)[C@H](C)[C@@H]3O |
| Inchi | InChI=1S/C22H26O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12,18,24H,6-7H2,1-5H3/t11-,12+,18-/m0/s1 |
| Inchi Key | NIDRYBLTWYFCFV-IUUKEHGRSA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 14.0 |
| Np Likeness Score | 2.4 |
| Records Key | ['(+/-)9', '5', '6', '58'] |
| Records Name | [(10R,11R,12S)-12-Hydroxy-6,6,10,11-tetramethyl-4-propyl-11,12-dihydro-6H,10H-dipyrano[2,3-f,2',3'-h]chromen-2-one", 'Calanolide C', "12-Hydroxy-6,6,10,11-tetramethyl-4-propyl-11,12-dihydro-6H,10H-dipyrano[2,3-f,2',3'-h]chromen-2-one", 'Calanolide C']" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
