herdmanine I
AlkaPlorer ID: AK114316
Synonym: None
IUPAC Name: (2R)-2-amino-6-[[2-(6-hydroxy-1H-indol-3-yl)-2-oxoacetyl]amino]hexanoic acid
Structure
SMILES: N[C@H](CCCCNC(=O)C(=O)C1=CNC2=CC(O)=CC=C12)C(=O)O
InChI: InChI=1S/C16H19N3O5/c17-12(16(23)24)3-1-2-6-18-15(22)14(21)11-8-19-13-7-9(20)4-5-10(11)13/h4-5,7-8,12,19-20H,1-3,6,17H2,(H,18,22)(H,23,24)/t12-/m1/s1
InChIKey: RPUXHQDDBAUWRH-GFCCVEGCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Herdmania momus | Herdmania | Pyuridae | Stolidobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 333.3440000000001
TPSA？: 145.51
MolLogP？: 0.7545999999999994
Number of H-Donors: 5
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Peroxisome proliferator-activated receptor gamma | Activity | None | None | 10.1021/np300401g |