Bioactive Compound Details
| BioID | bio688 |
|---|---|
| Name | VERRUCAMIDE C |
| ChEMBL ID | CHEMBL1784382 |
| Molecular Formula | C67H112N14O18 |
| Molecular Weight | 1401.71 |
| Molecular Weight (Monoisotopic) | 1400.8279 |
| Type | Protein |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Verrucamide C |
| Smiles | CC[C@@H](C)[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@H](Cc2ccccc2)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@H](C)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CO)C(=O)N1C |
| Inchi | InChI=1S/C67H112N14O18/c1-22-38(12)53-59(91)70-43(31-82)57(89)73-51(36(8)9)65(97)77(17)44(28-42-26-24-23-25-27-42)58(90)69-30-47(87)72-49(34(4)5)66(98)80(20)54(40(14)84)61(93)75-52(37(10)11)67(99)81(21)55(41(15)85)60(92)74-50(35(6)7)63(95)76(16)39(13)56(88)68-29-46(86)71-48(33(2)3)64(96)78(18)45(32-83)62(94)79(53)19/h23-27,33-41,43-45,48-55,82-85H,22,28-32H2,1-21H3,(H,68,88)(H,69,90)(H,70,91)(H,71,86)(H,72,87)(H,73,89)(H,74,92)(H,75,93)/t38-,39-,40-,41-,43+,44-,45+,48+,49+,50+,51+,52+,53+,54+,55+/m1/s1 |
| Inchi Key | ICVVLVATMXICEO-VDPGQFGOSA-N |
| Molecular Species | None |
| Targets | 1.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | None |
| Records Key | ['3'] |
| Records Name | ['Verrucamide C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
