Deacylcystodytin; N2'-(3-Methyl-2-butenoyl)
AlkaPlorer ID: AK024280
Synonym: Cystodytin A
IUPAC Name: 3-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)=CC(O)=NCCC1=CC(=O)C2=NC=CC3=C4C=CC=CC4=NC1=C23
InChI: InChI=1S/C22H19N3O2/c1-13(2)11-19(27)23-9-7-14-12-18(26)22-20-16(8-10-24-22)15-5-3-4-6-17(15)25-21(14)20/h3-6,8,10-12H,7,9H2,1-2H3,(H,23,27)
InChIKey: UAYREUYFDLEPMA-UHFFFAOYSA-N
Reference
Pharmacologically Active Metabolites from Symbiotic Microalgae in Okinawan Marine Invertebrates
PubChem CID: 188742
CAS: 113321-71-4
LOTUS: LTS0033147
SuperNatural Ⅲ: SN0365500
COCONUT: CNP0206141
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？: 75.44
MolLogP？: 4.675500000000004
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|