| BioID | bio541 |
|---|
| Name | PERVILLEINE C |
|---|
| ChEMBL ID | CHEMBL451845 |
|---|
| Molecular Formula | C32H39NO10 |
|---|
| Molecular Weight | 597.66 |
|---|
| Molecular Weight (Monoisotopic) | 597.2574 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar11 |
|---|
| Target Name | Proto-oncogene c-RAF (c-RAF) |
|---|
| Synonyms | Pervilleine C |
|---|
| Smiles | COc1cc(/C=C/C(=O)O[C@H]2CC3C[C@H](OC(=O)/C=C/c4cc(OC)c(OC)c(OC)c4)C(C2)N3C)cc(OC)c1OC |
|---|
| Inchi | InChI=1S/C32H39NO10/c1-33-21-16-22(42-29(34)10-8-19-12-25(36-2)31(40-6)26(13-19)37-3)18-23(33)24(17-21)43-30(35)11-9-20-14-27(38-4)32(41-7)28(15-20)39-5/h8-15,21-24H,16-18H2,1-7H3/b10-8+,11-9+/t21?,22-,23?,24-/m0/s1 |
|---|
| Inchi Key | QRMASVGVVOOIOZ-DRDSSUTESA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 9.0 |
|---|
| Bioactivities | 15.0 |
|---|
| Np Likeness Score | 0.95 |
|---|
| Records Key | ['6, Pervilleine C'] |
|---|
| Records Name | ['3alpha,6beta-di-[(E)-(3,4,5-trimethoxycinnamoyloxy)]tropane'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
