Cyclo(Trp-Gly)
AlkaPlorer ID: AK024134
Synonym: None
IUPAC Name: (3S)-3-(1H-indol-3-ylmethyl)piperazine-2,5-dione
Structure
SMILES: OC1=N[C@@H](CC2=CNC3=CC=CC=C23)C(O)=NC1
InChI: InChI=1S/C13H13N3O2/c17-12-7-15-13(18)11(16-12)5-8-6-14-10-4-2-1-3-9(8)10/h1-4,6,11,14H,5,7H2,(H,15,18)(H,16,17)/t11-/m0/s1
InChIKey: IFQZEERDQXQTLJ-NSHDSACASA-N
Reference
Metabolites of<i>Streptomyces</i>sp., an endophytic actinomycete from<i>Alpinia oxyphylla</i>
PubChem CID: 6997508
LOTUS: LTS0045999
NPASS: NPC279918
{NPAtlas: NPA015135
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Talaromyces | Trichocomaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| None | Talaromyces | Trichocomaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 243.266
TPSA？: 80.97
MolLogP？: 2.0056000000000003
Number of H-Donors: 3
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A2780 | IC50 | 100000.0 | nM | 10.1016/j.bmcl.2012.04.119 |
| Homo sapiens | K562 | IC50 | 100000.0 | nM | 10.1016/j.bmcl.2012.04.119 |
| None | ADMET | LogP app | -6.02 | None | 10.1016/j.bmc.2007.03.040 |
| None | No relevant target | LogP | 0.07 | None | 10.1016/j.bmc.2007.03.040 |