| BioID | bio170 |
|---|
| Name | NIGRASIN C |
|---|
| ChEMBL ID | CHEMBL1773613 |
|---|
| Molecular Formula | C25H26O8 |
|---|
| Molecular Weight | 454.48 |
|---|
| Molecular Weight (Monoisotopic) | 454.1628 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar11 |
|---|
| Target Name | Proto-oncogene c-RAF (c-RAF) |
|---|
| Synonyms | nigrasin C |
|---|
| Smiles | CC(C)=CC[C@]12Oc3cc4c(c(O)c3C(=O)[C@@]1(O)Oc1cc(O)ccc12)C[C@@H](C(C)(C)O)O4 |
|---|
| Inchi | InChI=1S/C25H26O8/c1-12(2)7-8-24-15-6-5-13(26)9-17(15)33-25(24,30)22(28)20-18(32-24)11-16-14(21(20)27)10-19(31-16)23(3,4)29/h5-7,9,11,19,26-27,29-30H,8,10H2,1-4H3/t19-,24+,25+/m0/s1 |
|---|
| Inchi Key | TXDONVUXISPTKQ-QTLGCAHFSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 1.0 |
|---|
| Np Likeness Score | 3.14 |
|---|
| Records Key | ['3, nigrasin C'] |
|---|
| Records Name | ['(2S,5aS,10bR)-5a,10b-dihydro-4,5a,8-trihydroxy-2-(1-hydroxy-1-methylethyl)-10b-(3-methyl-2-buten-1-yl)-2H,3H,6H-benzofuro[3,2-b]pyrano[3,2-f]-benzofuro-5-one'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
