Molecule

massadine

AlkaPlorer ID: AK056508

Synonym: 'massadine(2+)'

IUPAC Name: 4,5-dibromo-N-[[(1S,2S,3S,4R,5S,6R,10R,12S)-8,14-diamino-3-[[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]methyl]-2,6-dihydroxy-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: N=C1N[C@@H]2O[C@@H]3NC(=N)N[C@]34[C@H]([C@H](CNC(=O)C3=CC(Br)=C(Br)N3)[C@@H](CNC(=O)C3=CC(Br)=C(Br)N3)[C@@H]4O)[C@]2(O)N1

InChI: InChI=1S/C22H24Br4N10O5/c23-7-1-9(31-13(7)25)15(38)29-3-5-6(4-30-16(39)10-2-8(24)14(26)32-10)12(37)21-11(5)22(40)18(34-20(28)36-22)41-17(21)33-19(27)35-21/h1-2,5-6,11-12,17-18,31-32,37,40H,3-4H2,(H,29,38)(H,30,39)(H3,27,33,35)(H3,28,34,36)/t5-,6-,11+,12+,17+,18-,21+,22-/m1/s1

InChIKey: MJHZRZBAUGHJOJ-RVJSRHHYSA-N

Reference

Stylissadines A and B: The First Tetrameric Pyrrole−Imidazole Alkaloids

PubChem CID: 10953212

LOTUS: LTS0021438

NPASS: NPC323776

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Magnolia praecocissima	Magnolia	Magnoliaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Didymella lethalis	Didymella	Didymellaceae	Pleosporales	Dothideomycetes	Ascomycota	Fungi	Eukaryota
Sulfurospirillum multivorans	Sulfurospirillum	Sulfurospirillaceae	Campylobacterales	Epsilonproteobacteria	Campylobacterota	None	Bacteria
Streptomyces thioluteus	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
Rhaphiolepis indica	Rhaphiolepis	Rosaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Stylissa massa	Stylissa	Axinellidae	Axinellida	Demospongiae	Porifera	Metazoa	Eukaryota
Veratrum californicum	Veratrum	Melanthiaceae	Liliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Streptosporangium sibiricum	Streptosporangium	Streptosporangiaceae	Streptosporangiales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 828.115

TPSA？: 235.29

MolLogP？: 0.140640000000001

Number of H-Donors: 12

Number of H-Acceptors: 7

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Candida albicans	Candida albicans	IC50	3900.0	nM	10.1016/j.ejmech.2016.11.022