Deacylcystodytin; 1'-Methoxy, N2'-(3-methyl-2-butenoyl)
AlkaPlorer ID: AK048390
Synonym: Cystodytin F
IUPAC Name: N-[2-methoxy-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: COC(CN=C(O)C=C(C)C)C1=CC(=O)C2=NC=CC3=C4C=CC=CC4=NC1=C23
InChI: InChI=1S/C23H21N3O3/c1-13(2)10-20(28)25-12-19(29-3)16-11-18(27)23-21-15(8-9-24-23)14-6-4-5-7-17(14)26-22(16)21/h4-11,19H,12H2,1-3H3,(H,25,28)
InChIKey: RDUYTERZAINXAH-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cystodytes dellechiajei | Cystodytes | Polycitoridae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 387.43900000000014
TPSA？: 84.67
MolLogP？: 4.300400000000003
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | KB | IC50 | 0.078 | ug.mL-1 | 10.1021/np50078a022 |
| Mus musculus | L1210 | IC50 | 0.068 | ug.mL-1 | 10.1021/np50078a022 |