N-Deacetylkuanoniamine D; N2',N2'-Di-Me
AlkaPlorer ID: AK036720
Synonym: Nordercitin
IUPAC Name: N,N-dimethyl-2-(4-thia-6,9,19-triazapentacyclo[10.7.1.03,7.08,20.013,18]icosa-1,3(7),5,8,10,12(20),13,15,17-nonaen-2-yl)ethanamine
Structure
SMILES: CN(C)CCC1=C2NC3=CC=CC=C3C3=CC=NC(=C32)C2=C1SC=N2
InChI: InChI=1S/C20H18N4S/c1-24(2)10-8-14-17-16-13(12-5-3-4-6-15(12)23-17)7-9-21-18(16)19-20(14)25-11-22-19/h3-7,9,11,23H,8,10H2,1-2H3
InChIKey: VUMXZAQHDVKTEH-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Stelletta | Ancorinidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Stelletta | Ancorinidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 346.4590000000001
TPSA？: 41.05
MolLogP？: 4.672600000000004
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|