Tauroacidin A; 9-Deoxy
AlkaPlorer ID: AK083423
Synonym: Taurodispacamide A
IUPAC Name: 2-[[2-amino-5-[3-[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]propylidene]-1H-imidazol-4-ylidene]amino]ethanesulfonic acid
Structure
SMILES: N=C1NC(=CCCNC(=O)C2=CC(Br)=C(Br)N2)C(=NCCS(=O)(=O)O)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)
InChIKey: RPPSGEYLUBPWMM-UHFFFAOYSA-N
Reference
Novel bioactive bromopyrrole alkaloids from the Mediterranean sponge Axinella verrucosa
PubChem CID: 162856656
CAS: 323177-96-4
LOTUS: LTS0198235
COCONUT: CNP0119498
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Agelas oroides | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 512.1840000000002
TPSA？: 159.53
MolLogP？: 0.9573699999999996
Number of H-Donors: 6
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|