Deacylcystodytin; N2'-Tigloyl
AlkaPlorer ID: AK024345
Synonym: Cystodytin B
IUPAC Name: 2-methyl-N-[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]but-2-enamide
Structure
SMILES: CC=C(C)C(=O)NCCC1=CC(=O)C2=NC=CC3=C4C=CC=CC4=NC1=C23
InChI: InChI=1S/C22H19N3O2/c1-3-13(2)22(27)24-10-8-14-12-18(26)21-19-16(9-11-23-21)15-6-4-5-7-17(15)25-20(14)19/h3-7,9,11-12H,8,10H2,1-2H3,(H,24,27)
InChIKey: HHKHSULUYWEWMN-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cystodytes dellechiajei | Cystodytes | Polycitoridae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 357.41300000000007
TPSA？: 71.95
MolLogP？: 3.835200000000003
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|