Bioactive Compound Details
| BioID | bio1240 |
|---|---|
| Name | POECILLASTRIN C |
| ChEMBL ID | CHEMBL425292 |
| Molecular Formula | C78H129N3O20 |
| Molecular Weight | 1428.89 |
| Molecular Weight (Monoisotopic) | 1427.9169 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Poecillastrin C |
| Smiles | COC1/C=C/C=C/CC/C=C/C=C/C(=O)NC(C(O)C(=O)O)C(=O)OC(C(NC(=O)C(C)C(O)CCC(C)C(O)/C(C)=C/C(C)C(O)C(CC(C)C)NC(=O)/C=C/C(C)(C)C(=O)C(C)C(O)C(C)C)C(C)O)C(C)C(O)C/C=C(\C)C(O)C(C)/C=C(\C)C(O)C(C)C(O)CC2CC(C)CC1O2 |
| Inchi | InChI=1S/C78H129N3O20/c1-42(2)36-57(79-64(87)34-35-78(17,18)74(94)54(15)67(88)43(3)4)71(92)50(11)40-48(9)69(90)46(7)31-33-59(84)53(14)75(95)81-65(55(16)82)73-52(13)58(83)32-30-45(6)68(89)47(8)39-49(10)70(91)51(12)60(85)41-56-37-44(5)38-62(100-56)61(99-19)28-26-24-22-20-21-23-25-27-29-63(86)80-66(77(98)101-73)72(93)76(96)97/h22-30,34-35,39-40,42-44,46-47,50-62,65-73,82-85,88-93H,20-21,31-33,36-38,41H2,1-19H3,(H,79,87)(H,80,86)(H,81,95)(H,96,97)/b24-22+,25-23+,28-26+,29-27+,35-34+,45-30+,48-40+,49-39+ |
| Inchi Key | HMIARJJWAVDOLU-HNLIAPJFSA-N |
| Molecular Species | None |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | None |
| Records Key | ['2'] |
| Records Name | ['poecillastrin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
