Damituricin
AlkaPlorer ID: AK318698
Synonym: None
IUPAC Name: (4-bromopyrrol-2-ylidene)-[(3R,5R)-5-carboxy-1,1-dimethylpyrrolidin-1-ium-3-yl]oxymethanolate
Structure
SMILES: C[N+]1(C)C[C@H](OC([O-])=C2C=C(Br)C=N2)C[C@@H]1C(=O)O
InChI: InChI=1S/C12H15BrN2O4/c1-15(2)6-8(4-10(15)11(16)17)19-12(18)9-3-7(13)5-14-9/h3,5,8,10H,4,6H2,1-2H3,(H-,14,16,17,18)/t8-,10-/m1/s1
InChIKey: STWZXBZABSCBFO-PSASIEDQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Axinella damicornis | Axinella | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 331.16600000000005
TPSA？: 81.95
MolLogP？: 0.1974999999999997
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HEK293 | Activity | nan | None | 10.1016/j.bmc.2007.05.074 |
| Homo sapiens | HeLa | Activity | nan | None | 10.1016/j.bmc.2007.05.074 |
| Mus musculus | L5178Y | Activity | nan | None | 10.1016/j.bmc.2007.05.074 |
| Rattus norvegicus | PC-12 | Activity | 43.8 | % | 10.1016/j.bmc.2007.05.074 |
| Rattus norvegicus | PC-12 | Activity | nan | None | 10.1016/j.bmc.2007.05.074 |