Bioactive Compound Details
| BioID | bio198834 |
|---|---|
| Name | 14-O-2-METHOXY-5-NITROBENZYL-GUTTIFERONE A |
| ChEMBL ID | CHEMBL2403402 |
| Molecular Formula | C46H57NO9 |
| Molecular Weight | 767.96 |
| Molecular Weight (Monoisotopic) | 767.4033 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | None |
| Smiles | COc1ccc([N+](=O)[O-])cc1COc1ccc(C(=O)C2=C(O)[C@]3(CC=C(C)C)C[C@H](CC=C(C)C)[C@@](C)(CCC=C(C)C)[C@](CC=C(C)C)(C2=O)C3=O)cc1O |
| Inchi | InChI=1S/C46H57NO9/c1-28(2)12-11-21-44(9)34(15-13-29(3)4)26-45(22-19-30(5)6)41(50)39(42(51)46(44,43(45)52)23-20-31(7)8)40(49)32-14-17-38(36(48)25-32)56-27-33-24-35(47(53)54)16-18-37(33)55-10/h12-14,16-20,24-25,34,48,50H,11,15,21-23,26-27H2,1-10H3/t34-,44+,45-,46+/m0/s1 |
| Inchi Key | JOWSUTJAEXVQEQ-RPGHAKQLSA-N |
| Molecular Species | ACID |
| Targets | 3.0 |
| Bioactivities | 7.0 |
| Np Likeness Score | 1.43 |
| Records Key | ['12'] |
| Records Name | ['14-O-2-Methoxy-5-nitrobenzyl-guttiferone A'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
