Herdmanine C
AlkaPlorer ID: AK092254
Synonym: None
IUPAC Name: (2R)-5-(diaminomethylideneamino)-2-[[4-(4-hydroxybenzoyl)oxybenzoyl]amino]pentanoic acid
Structure
SMILES: N=C(N)NCCC[C@@H](NC(=O)C1=CC=C(OC(=O)C2=CC=C(O)C=C2)C=C1)C(=O)O
InChI: InChI=1S/C20H22N4O6/c21-20(22)23-11-1-2-16(18(27)28)24-17(26)12-5-9-15(10-6-12)30-19(29)13-3-7-14(25)8-4-13/h3-10,16,25H,1-2,11H2,(H,24,26)(H,27,28)(H4,21,22,23)/t16-/m1/s1
InChIKey: AJMYUJYRCPUHHA-MRXNPFEDSA-N
Reference
Anti-inflammatory Amino Acid Derivatives from the Ascidian <i>Herdmania momus</i>
PubChem CID: 53483956
LOTUS: LTS0194869
NPASS: NPC235194
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Herdmania momus | Herdmania | Pyuridae | Stolidobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 414.4180000000001
TPSA？: 174.82999999999998
MolLogP？: 1.05767
Number of H-Donors: 6
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Enterobacter cloacae | Enterobacter cloacae | Activity | nan | None | 10.1021/np200397g |
| Escherichia coli | Escherichia coli | Activity | nan | None | 10.1021/np200397g |
| Klebsiella aerogenes | Klebsiella aerogenes | Activity | nan | None | 10.1021/np200397g |
| Mus musculus | Cyclooxygenase-2 | Inhibition | nan | % | 10.1021/np200397g |
| Mus musculus | RAW264.7 | Activity | nan | None | 10.1021/np200397g |
| Mus musculus | RAW264.7 | IC50 | 96000.0 | nM | 10.1021/np200397g |
| Mus musculus | RAW264.7 | Inhibition | nan | % | 10.1021/np200397g |
| Salmonella enterica subsp. enterica serovar Typhimurium | Salmonella typhimurium | Activity | nan | None | 10.1021/np200397g |
| Staphylococcus aureus | Staphylococcus aureus | Activity | nan | None | 10.1021/np200397g |