herdmanine L
AlkaPlorer ID: AK071955
Synonym: None
IUPAC Name: (2S)-2-amino-3-[4-(4-hydroxybenzoyl)oxyphenyl]propanoic acid
Structure
SMILES: N[C@@H](CC1=CC=C(OC(=O)C2=CC=C(O)C=C2)C=C1)C(=O)O
InChI: InChI=1S/C16H15NO5/c17-14(15(19)20)9-10-1-7-13(8-2-10)22-16(21)11-3-5-12(18)6-4-11/h1-8,14,18H,9,17H2,(H,19,20)/t14-/m0/s1
InChIKey: YVYXQUTZASIIIA-AWEZNQCLSA-N
Reference
PPAR-γ Agonistic Metabolites from the Ascidian <i>Herdmania momus</i>
PubChem CID: 71457892
LOTUS: LTS0191054
NPASS: NPC17760
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Herdmania momus | Herdmania | Pyuridae | Stolidobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 301.29800000000006
TPSA？: 109.85
MolLogP？: 1.5658
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | NON-PROTEIN TARGET | IC50 | 1.78 | ug.mL-1 | 10.1021/np300401g |
| None | Radical scavenging activity | IC50 | 2.31 | ug.mL-1 | 10.1021/np300401g |