Bioactive Compound Details
| BioID | bio1783 |
|---|---|
| Name | OENOTHEIN C |
| ChEMBL ID | CHEMBL2087576 |
| Molecular Formula | C34H24O22 |
| Molecular Weight | 784.54 |
| Molecular Weight (Monoisotopic) | 784.0759 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Oenothein C |
| Smiles | O=C(O[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1Oc1cc2c(=O)oc3c(O)c(O)cc4c(=O)oc(c1O)c2c34)c1cc(O)c(O)c(O)c1 |
| Inchi | InChI=1S/C34H24O22/c35-6-16-23(44)28(55-30(46)7-1-11(36)19(40)12(37)2-7)29(34(50)52-16)56-33(49)10-4-13(38)20(41)24(45)25(10)51-15-5-9-18-17-8(31(47)54-27(18)22(15)43)3-14(39)21(42)26(17)53-32(9)48/h1-5,16,23,28-29,34-45,50H,6H2/t16-,23-,28+,29-,34?/m1/s1 |
| Inchi Key | UCTUGQCJSNXNNR-URKRHJQISA-N |
| Molecular Species | ACID |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 1.48 |
| Records Key | ['Oenothein C'] |
| Records Name | ['Oenothein C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
