Pseudocerosine
AlkaPlorer ID: AK311466
Synonym: None
IUPAC Name: N-(4-hydroxy-13-methoxy-15-methyl-12-methylsulfinyl-8-aza-15-azoniapentacyclo[9.6.2.02,7.08,18.014,19]nonadeca-1(18),2(7),3,5,11(19),12,14,16-octaen-9-yl)acetamide
Structure
SMILES: COC1=C(S(C)=O)C2=C3C1=[N+](C)C=CC1=C3N(C3=CC=C(O)C=C13)C(NC(C)=O)C2
InChI: InChI=1S/C22H21N3O4S/c1-11(26)23-17-10-15-18-19-13(14-9-12(27)5-6-16(14)25(17)19)7-8-24(2)20(18)21(29-3)22(15)30(4)28/h5-9,17H,10H2,1-4H3,(H-,23,26,27)/p+1
InChIKey: PXKVUOBMWBHIRP-UHFFFAOYSA-O
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudoceros indicus | Pseudoceros | Pseudocerotidae | Polycladida | Rhabditophora | Platyhelminthes | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 424.5020000000002
TPSA？: 84.44
MolLogP？: 2.3662
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|