Sceptrin; Bis(debromo)
AlkaPlorer ID: AK313045
Synonym: Didebromosceptrin
IUPAC Name: N-[[2,3-bis(2-amino-1H-imidazol-5-yl)-4-[(1H-pyrrole-2-carbonylamino)methyl]cyclobutyl]methyl]-1H-pyrrole-2-carboxamide
Structure
SMILES: N=C1NC=C(C2C(CNC(=O)C3=CC=CN3)C(CNC(=O)C3=CC=CN3)C2C2=CNC(=N)N2)N1
InChI: InChI=1S/C22H26N10O2/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)
InChIKey: GKTDJKRRZLVEPY-UHFFFAOYSA-N
Reference
Debromosceptrin, an Alkaloid from the Caribbean Sponge <i>Agelas conifera</i>
PubChem CID: 75051856
CAS: 217807-68-6
LOTUS: LTS0002275
COCONUT: CNP0229949.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Agelas conifera | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 462.5180000000001
TPSA？: 200.64
MolLogP？: 0.5875400000000015
Number of H-Donors: 10
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|