Tauroacidin A; 2-Debromo, 9-deoxy
AlkaPlorer ID: AK076325
Synonym: 9-Deoxytauroacidin B, 2-Debromotaurodispacamide A
IUPAC Name: 2-[[2-amino-5-[3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]propylidene]-1H-imidazol-4-ylidene]amino]ethanesulfonic acid
Structure
SMILES: NC1=NC(=NCCS(=O)(=O)O)C(=CCCNC(=O)C2=CC(Br)=CN2)N1
InChI: InChI=1S/C13H17BrN6O4S/c14-8-6-10(18-7-8)12(21)17-3-1-2-9-11(20-13(15)19-9)16-4-5-25(22,23)24/h2,6-7,18H,1,3-5H2,(H,17,21)(H,22,23,24)(H3,15,16,19,20)
InChIKey: LNXKWPZOZYRZCB-UHFFFAOYSA-N
Reference
Novel bioactive bromopyrrole alkaloids from the Mediterranean sponge Axinella verrucosa
PubChem CID: 163034617
LOTUS: LTS0091289
COCONUT: CNP0314003
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Axinella verrucosa | Axinella | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 433.28800000000007
TPSA？: 162.03
MolLogP？: -0.0147999999999993
Number of H-Donors: 5
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|