| BioID | bio484 |
|---|
| Name | TRIGONOCHINENE C |
|---|
| ChEMBL ID | CHEMBL477403 |
|---|
| Molecular Formula | C21H28O5 |
|---|
| Molecular Weight | 360.45 |
|---|
| Molecular Weight (Monoisotopic) | 360.1937 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar11 |
|---|
| Target Name | Proto-oncogene c-RAF (c-RAF) |
|---|
| Synonyms | trigonochinene C |
|---|
| Smiles | C=CC1=C(C)C(=O)C=C2[C@]1(OO)CC[C@H](C(=C)C)[C@@]2(C)CCC(=O)OC |
|---|
| Inchi | InChI=1S/C21H28O5/c1-7-15-14(4)17(22)12-18-20(5,10-9-19(23)25-6)16(13(2)3)8-11-21(15,18)26-24/h7,12,16,24H,1-2,8-11H2,3-6H3/t16-,20-,21+/m1/s1 |
|---|
| Inchi Key | OONMQCVQEOUVNN-HBGVWJBISA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 10.0 |
|---|
| Bioactivities | 11.0 |
|---|
| Np Likeness Score | 2.91 |
|---|
| Records Key | ['3, trigonochinene C'] |
|---|
| Records Name | ['methyl 8alpha-hydroperxy-12-oxo-3,4-secocleistanth-9(11),13,15,19(4)-tetraen-3-oate'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
