| BioID | bio1035 |
|---|
| Name | BRASILIENSOPHYLLIC ACID C |
|---|
| ChEMBL ID | CHEMBL463706 |
|---|
| Molecular Formula | C29H34O6 |
|---|
| Molecular Weight | 478.59 |
|---|
| Molecular Weight (Monoisotopic) | 478.2355 |
|---|
| Type | Small molecule |
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| Max Phase | -- |
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| Target ID | Tar11 |
|---|
| Target Name | Proto-oncogene c-RAF (c-RAF) |
|---|
| Synonyms | brasiliensophyllic acid C |
|---|
| Smiles | C=C(C)CCC1(C=C(C)C)C(=O)C2=C(O)[C@H](C)[C@@H](C)OC2=C(C(CC(=O)O)c2ccccc2)C1=O |
|---|
| Inchi | InChI=1S/C29H34O6/c1-16(2)12-13-29(15-17(3)4)27(33)23(21(14-22(30)31)20-10-8-7-9-11-20)26-24(28(29)34)25(32)18(5)19(6)35-26/h7-11,15,18-19,21,32H,1,12-14H2,2-6H3,(H,30,31)/t18-,19-,21?,29?/m1/s1 |
|---|
| Inchi Key | DZQLPLRGLQSWBS-JEHKQGMSSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 5.0 |
|---|
| Bioactivities | 5.0 |
|---|
| Np Likeness Score | 1.84 |
|---|
| Records Key | ['5, brasiliensophyllic acid C'] |
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| Records Name | ['3-{rel-(2R,3R)-4-hydroxy-2,3-dimethyl-6-(3-methylbut-2-enyl)-6-[5-methyl-2-(2-methylpropenyl)hex-5-enyl]-5,7-dioxo-3,5,6,7-tetrahydro-2H-chromen-8-yl}-3-phenylpropionic acid'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
