Bioactive Compound Details
| BioID | bio554 |
|---|---|
| Name | SARMENTOSUMIN C |
| ChEMBL ID | CHEMBL1835964 |
| Molecular Formula | C50H42O9 |
| Molecular Weight | 786.88 |
| Molecular Weight (Monoisotopic) | 786.2829 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Sarmentosumin C |
| Smiles | O=C1C[C@@H](c2ccccc2)Oc2c(Cc3ccccc3O)c(O)c(Cc3cc(Cc4cc(Cc5cc(Cc6ccccc6O)ccc5O)ccc4O)ccc3O)c(O)c21 |
| Inchi | InChI=1S/C50H42O9/c51-40-12-6-4-10-33(40)20-29-14-17-42(53)35(21-29)22-30-15-18-43(54)36(23-30)24-31-16-19-44(55)37(25-31)27-38-48(57)39(26-34-11-5-7-13-41(34)52)50-47(49(38)58)45(56)28-46(59-50)32-8-2-1-3-9-32/h1-19,21,23,25,46,51-55,57-58H,20,22,24,26-28H2/t46-/m0/s1 |
| Inchi Key | RSPYQSBMMWSZTA-DXQCBLCSSA-N |
| Molecular Species | ACID |
| Targets | 2.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 0.76 |
| Records Key | ['3, Sarmentosumin C'] |
| Records Name | [5,7-dihydroxy-6-(2'''-hydroxy-5'''-(2''''-hydroxy-5''''-(2'''''-hydroxy-5'''''-(2''''''-hydroxybenzyl)benzyl)benzyl)-benzyl)-8-(2''-hydroxybenzyl)flavanone"]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
