Agelamadine C; Decarboxy
AlkaPlorer ID: AK283517
Synonym: Decarboxyagelamadine C
IUPAC Name: N-[[2-(2-amino-1H-imidazol-5-yl)-5-(3-aminopropanoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]methyl]-4,5-dibromo-1H-pyrrole-2-carboxamide
Structure
SMILES: NCCC(=O)C1=CC=CC2=C1NC(CNC(=O)C1=CC(Br)=C(Br)N1)C(C1=CN=C(N)N1)O2
InChI: InChI=1S/C20H21Br2N7O3/c21-10-6-11(28-18(10)22)19(31)25-7-12-17(13-8-26-20(24)29-13)32-15-3-1-2-9(16(15)27-12)14(30)4-5-23/h1-3,6,8,12,17,27-28H,4-5,7,23H2,(H,25,31)(H3,24,26,29)
InChIKey: NTRGXEYGZYMFHG-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Agelas sceptrum | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 567.242
TPSA？: 163.93999999999997
MolLogP？: 2.7207
Number of H-Donors: 6
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|