Massadine; 14-O-Sulfate
AlkaPlorer ID: AK305282
Synonym: Massadine 14-sulfate
IUPAC Name: [8,14-diamino-3,4-bis[[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]methyl]-6-hydroxy-11-oxa-7,9,13,15-tetrazatetracyclo[10.3.0.01,5.06,10]pentadeca-8,13-dien-2-yl] hydrogen sulfate
Structure
SMILES: N=C1NC2OC3NC(=N)NC34C(OS(=O)(=O)O)C(CNC(=O)C3=CC(Br)=C(Br)N3)C(CNC(=O)C3=CC(Br)=C(Br)N3)C4C2(O)N1
InChI: InChI=1S/C22H24Br4N10O8S/c23-7-1-9(31-13(7)25)15(37)29-3-5-6(4-30-16(38)10-2-8(24)14(26)32-10)12(44-45(40,41)42)21-11(5)22(39)18(34-20(28)36-22)43-17(21)33-19(27)35-21/h1-2,5-6,11-12,17-18,31-32,39H,3-4H2,(H,29,37)(H,30,38)(H3,27,33,35)(H3,28,34,36)(H,40,41,42)
InChIKey: LQAVWFPGENNSNX-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Axinella sp. | Axinella | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 908.179
TPSA？: 278.66
MolLogP？: -0.0322599999999977
Number of H-Donors: 12
Number of H-Acceptors: 9
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|