Massadine; 14-Me ether
AlkaPlorer ID: AK305281
Synonym: 14-O-Methylmassadine
IUPAC Name: 4,5-dibromo-N-[[8,14-diamino-3-[[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]methyl]-6-hydroxy-2-methoxy-11-oxa-7,9,13,15-tetrazatetracyclo[10.3.0.01,5.06,10]pentadeca-8,13-dien-4-yl]methyl]-1H-pyrrole-2-carboxamide
Structure
SMILES: COC1C(CNC(=O)C2=CC(Br)=C(Br)N2)C(CNC(=O)C2=CC(Br)=C(Br)N2)C2C3(O)NC(=N)NC3OC3NC(=N)NC312
InChI: InChI=1S/C23H26Br4N10O5/c1-41-13-7(5-31-17(39)11-3-9(25)15(27)33-11)6(4-30-16(38)10-2-8(24)14(26)32-10)12-22(13)18(34-20(28)36-22)42-19-23(12,40)37-21(29)35-19/h2-3,6-7,12-13,18-19,32-33,40H,4-5H2,1H3,(H,30,38)(H,31,39)(H3,28,34,36)(H3,29,35,37)
InChIKey: WQPCEIVSZBREEL-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Axinella sp. | Axinella | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 842.1419999999999
TPSA？: 224.29
MolLogP？: 0.7947400000000007
Number of H-Donors: 11
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|