Massadine; 14-Deoxy, 14α-chloro, 3-Me ether
AlkaPlorer ID: AK305280
Synonym: 3-O-Methylmassadine chloride
IUPAC Name: 4,5-dibromo-N-[[8,14-diamino-2-chloro-3-[[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]methyl]-6-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: COC12NC(=N)NC1OC1NC(=N)NC13C(Cl)C(CNC(=O)C1=CC(Br)=C(Br)N1)C(CNC(=O)C1=CC(Br)=C(Br)N1)C23
InChI: InChI=1S/C23H25Br4ClN10O4/c1-41-23-12-6(4-31-16(39)10-2-8(24)14(26)33-10)7(5-32-17(40)11-3-9(25)15(27)34-11)13(28)22(12)18(35-20(29)37-22)42-19(23)36-21(30)38-23/h2-3,6-7,12-13,18-19,33-34H,4-5H2,1H3,(H,31,39)(H,32,40)(H3,29,35,37)(H3,30,36,38)
InChIKey: VBNCRXURGWZGDM-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Axinella sp. | Axinella | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 860.588
TPSA？: 204.06
MolLogP？: 2.0412400000000006
Number of H-Donors: 10
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|