Deacylcystodytin; 1'-Hydroxy, N2'-(3-methyl-2-butenoyl)
AlkaPlorer ID: AK048369
Synonym: Cystodytin D
IUPAC Name: N-[2-hydroxy-2-(12-oxo-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,13,15-octaen-10-yl)ethyl]-3-methylbut-2-enamide
Structure
SMILES: CC(C)=CC(O)=NCC(O)C1=CC(=O)C2=NC=CC3=C4C=CC=CC4=NC1=C23
InChI: InChI=1S/C22H19N3O3/c1-12(2)9-19(28)24-11-18(27)15-10-17(26)22-20-14(7-8-23-22)13-5-3-4-6-16(13)25-21(15)20/h3-10,18,27H,11H2,1-2H3,(H,24,28)
InChIKey: ANJZOYDQOAVRCX-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 373.41200000000015
TPSA？: 95.67000000000002
MolLogP？: 3.6463000000000014
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | KB | IC50 | 1.4 | ug.mL-1 | 10.1021/np50078a022 |
| Mus musculus | L1210 | IC50 | 1.1 | ug.mL-1 | 10.1021/np50078a022 |