Molecule

Taurodispacamide A

AlkaPlorer ID: AK319593

Synonym: None

IUPAC Name: 2-[[(5Z)-2-amino-5-[3-[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]propylidene]-1H-imidazol-4-ylidene]amino]ethanesulfonic acid

Structure

SMILES: N=C1NC(=NCCS(=O)(=O)O)/C(=C/CCNC(=O)C2=CC(Br)=C(Br)N2)N1

InChI: InChI=1S/C13H16Br2N6O4S/c14-7-6-9(19-10(7)15)12(22)18-3-1-2-8-11(21-13(16)20-8)17-4-5-26(23,24)25/h2,6,19H,1,3-5H2,(H,18,22)(H,23,24,25)(H3,16,17,20,21)/b8-2-

InChIKey: RPPSGEYLUBPWMM-WAPJZHGLSA-N

Reference

Novel bioactive bromopyrrole alkaloids from the Mediterranean sponge Axinella verrucosa

PubChem CID: 135501141

LOTUS: LTS0208327

NPASS: NPC274606

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Artemisia vestita	Artemisia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aeonium goochiae	Aeonium	Crassulaceae	Saxifragales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cestrum nocturnum	Cestrum	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Guatteria blepharophylla	Guatteria	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Agelas oroides	Agelas	Agelasidae	Agelasida	Demospongiae	Porifera	Metazoa	Eukaryota
Rhododendron ovatum	Rhododendron	Ericaceae	Ericales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Dryopteris inaequalis	Dryopteris	Dryopteridaceae	Polypodiales	Polypodiopsida	Streptophyta	Viridiplantae	Eukaryota
Monochaetum vulcanicum	Monochaetum	Melastomataceae	Myrtales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Coprinopsis cinerea	Coprinopsis	Psathyrellaceae	Agaricales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Schistochila appendiculata	Schistochila	Schistochilaceae	Jungermanniales	Jungermanniopsida	Streptophyta	Viridiplantae	Eukaryota
Rhinogobius brunneus	Rhinogobius	Gobiidae	Gobiiformes	Actinopteri	Chordata	Metazoa	Eukaryota
Cereus aethiops	Cereus	Cactaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 512.1840000000001

TPSA？: 159.53

MolLogP？: 0.9573700000000004

Number of H-Donors: 6

Number of H-Acceptors: 5

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	KB	Activity	None	None	10.1021/np900539j