Phaeolschidin E
AlkaPlorer ID: AK309896
Synonym: 3-(5-Oxo-3-pyrrolidinyl)hispidin
IUPAC Name: 4-[6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxopyran-3-yl]pyrrolidin-2-one
Structure
SMILES: O=C1OC(/C=C/C2=CC=C(O)C(O)=C2)=CC(O)=C1C1CN=C(O)C1
InChI: InChI=1S/C17H15NO6/c19-12-4-2-9(5-13(12)20)1-3-11-7-14(21)16(17(23)24-11)10-6-15(22)18-8-10/h1-5,7,10,19-21H,6,8H2,(H,18,22)/b3-1+
InChIKey: SGUHXUXBJFGRPH-HNQUOIGGSA-N
Reference
PubChem CID: 72192263
CAS: 1446754-90-0
LOTUS: LTS0040139
NPASS: NPC471283
{NPAtlas: NPA003825
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phaeolus schweinitzii | Phaeolus | Phaeolaceae | Polyporales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 329.3080000000001
TPSA？: 123.49
MolLogP？: 2.3708
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HCT-116 | Activity | nan | None | 10.1021/np400234u |
| Homo sapiens | SW480 | Activity | nan | None | 10.1021/np400234u |
| None | No relevant target | TAC | 2.41 | U | 10.1021/np400234u |
| None | No relevant target | TAC | 2.78 | U | 10.1021/np400234u |
| None | No relevant target | TAC | 4.24 | U | 10.1021/np400234u |
| None | No relevant target | TAC | 6.91 | U | 10.1021/np400234u |
| None | Radical scavenging activity | IC50 | 200000.0 | nM | 10.1021/np400234u |