Debromosceptrin
AlkaPlorer ID: AK000638
Synonym: None
IUPAC Name: N-[[(1R,2S,3S,4R)-2,3-bis(2-amino-1H-imidazol-5-yl)-4-[(1H-pyrrole-2-carbonylamino)methyl]cyclobutyl]methyl]-1H-pyrrole-2-carboxamide;dihydrochloride
Structure
SMILES: C1=CNC(=C1)C(=O)NC[C@@H]2[C@H]([C@@H]([C@H]2C3=CN=C(N3)N)C4=CN=C(N4)N)CNC(=O)C5=CC=CN5.Cl.Cl
InChI: InChI=1S/C22H26N10O2.2ClH/c23-21-29-9-15(31-21)17-11(7-27-19(33)13-3-1-5-25-13)12(18(17)16-10-30-22(24)32-16)8-28-20(34)14-4-2-6-26-14;;/h1-6,9-12,17-18,25-26H,7-8H2,(H,27,33)(H,28,34)(H3,23,29,31)(H3,24,30,32);2*1H/t11-,12-,17-,18-;;/m1../s1
InChIKey: DAVDNNXCCMUSGM-WUYIMCQSSA-N
Reference
Debromosceptrin, an Alkaloid from the Caribbean Sponge <i>Agelas conifera</i>
PubChem CID: 44584043
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Agelas sceptrum | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
| Agelas nakamurai | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
| Agelas conifera | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 535.4400000000003
TPSA？: 199.17999999999998
MolLogP？: 1.770399999999999
Number of H-Donors: 8
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | IZ | 10.0 | mm | 10.1021/np990071f |
| Human immunodeficiency virus | Human immunodeficiency virus | Activity | nan | None | 10.1021/np980129a |