Shermilamine A; Debromo, N-de-Ac, Nω,Nω-di-Me
AlkaPlorer ID: AK002281
Synonym: Shermilamine D
IUPAC Name: 20-[2-(dimethylamino)ethyl]-18-thia-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9(21),10,12,14(19)-octaen-16-one
Structure
SMILES: CN(C)CCC1=C2NC3=CC=CC=C3C3=CC=NC(=C32)C2=C1SCC(O)=N2
InChI: InChI=1S/C21H20N4OS/c1-25(2)10-8-14-18-17-13(12-5-3-4-6-15(12)23-18)7-9-22-19(17)20-21(14)27-11-16(26)24-20/h3-7,9,23H,8,10-11H2,1-2H3,(H,24,26)
InChIKey: GNFZXVRWYHFYNY-UHFFFAOYSA-N
Reference
Three New Alkaloids from the Marine Tunicate <i>Cystodytes violatinctus</i>
PubChem CID: 9842634
CAS: 211311-08-9
LOTUS: LTS0215746
NPASS: NPC154993
COCONUT: CNP0175984
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Cystodytes | Polycitoridae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
| Pentaceras australe | Pentaceras | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Cystodytes | Polycitoridae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 376.4850000000002
TPSA？: 60.75
MolLogP？: 4.756600000000004
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|