None
AlkaPlorer ID: AK324500
Synonym: None
IUPAC Name: (E)-N-[(3S,4S,7S,10Z)-5,8-dioxo-3,7-di(propan-2-yl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-phenylprop-2-enamide
Structure
SMILES: CC(C)[C@@H]1N=C(O)[C@@H](N=C(O)/C=C/C2=CC=CC=C2)[C@H](C(C)C)OC2=CC=C(/C=C\N=C1O)C=C2
InChI: InChI=1S/C28H33N3O4/c1-18(2)24-27(33)29-17-16-21-10-13-22(14-11-21)35-26(19(3)4)25(28(34)31-24)30-23(32)15-12-20-8-6-5-7-9-20/h5-19,24-26H,1-4H3,(H,29,33)(H,30,32)(H,31,34)/b15-12+,17-16-/t24-,25-,26-/m0/s1
InChIKey: FNBJFTCTMTVIJQ-DAXUUGFGSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 475.5890000000002
TPSA？: 107.0
MolLogP？: 6.050400000000005
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 10000.0 | nM | 10.1021/acs.jnatprod.0c00454 |
| Homo sapiens | KB | IC50 | 10000.0 | nM | 10.1021/acs.jnatprod.0c00454 |
| Homo sapiens | MCF7 | IC50 | 10000.0 | nM | 10.1021/acs.jnatprod.0c00454 |
| Homo sapiens | MDA-MB-231 | IC50 | 10000.0 | nM | 10.1021/acs.jnatprod.0c00454 |
| None | Unchecked | IC50 | 10000.0 | nM | 10.1021/acs.jnatprod.0c00454 |