Herdmanine D
AlkaPlorer ID: AK088714
Synonym: None
IUPAC Name: (2S)-2-amino-3-[4-(6-bromo-5-hydroxy-1H-indole-3-carbonyl)oxyphenyl]propanoic acid
Structure
SMILES: N[C@@H](CC1=CC=C(OC(=O)C2=CNC3=CC(Br)=C(O)C=C23)C=C1)C(=O)O
InChI: InChI=1S/C18H15BrN2O5/c19-13-7-15-11(6-16(13)22)12(8-21-15)18(25)26-10-3-1-9(2-4-10)5-14(20)17(23)24/h1-4,6-8,14,21-22H,5,20H2,(H,23,24)/t14-/m0/s1
InChIKey: PKFPVOPFIFUXPW-AWEZNQCLSA-N
Reference
Anti-inflammatory Amino Acid Derivatives from the Ascidian <i>Herdmania momus</i>
PubChem CID: 53483957
LOTUS: LTS0206824
NPASS: NPC216369
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Herdmania momus | Herdmania | Pyuridae | Stolidobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 419.2310000000001
TPSA？: 125.64
MolLogP？: 2.8096000000000005
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 3
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 | 9000.0 | nM | 10.1021/np200397g |
| Mus musculus | RAW264.7 | IC50 | 170000.0 | 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 |