Benzosceptrin A; 4',4'',5',5''-Tetrabromo
AlkaPlorer ID: AK290412
Synonym: Benzosceptrin C
IUPAC Name: 4,5-dibromo-N-[[8,13-diamino-4-[[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]methyl]-7,9,12,14-tetrazatetracyclo[9.3.0.02,5.06,10]tetradeca-1(11),2(5),6(10),7,13-pentaen-3-yl]methyl]-1H-pyrrole-2-carboxamide
Structure
SMILES: N=C1NC2=C3C(=C4NC(=N)NC4=C2N1)C(CNC(=O)C1=CC(Br)=C(Br)N1)C3CNC(=O)C1=CC(Br)=C(Br)N1
InChI: InChI=1S/C22H18Br4N10O2/c23-7-1-9(31-17(7)25)19(37)29-3-5-6(4-30-20(38)10-2-8(24)18(26)32-10)12-11(5)13-15(35-21(27)33-13)16-14(12)34-22(28)36-16/h1-2,5-6,31-32H,3-4H2,(H,29,37)(H,30,38)(H3,27,33,35)(H3,28,34,36)
InChIKey: ISLJSGNSELMNBP-UHFFFAOYSA-N
Reference
Agelastatin E, Agelastatin F, and Benzosceptrin C from the Marine Sponge <i>Agelas dendromorpha</i>
PubChem CID: 75056972
LOTUS: LTS0099777
COCONUT: CNP0108572.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 774.07
TPSA？: 200.64
MolLogP？: 4.011340000000001
Number of H-Donors: 10
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|