None
AlkaPlorer ID: AK323750
Synonym: None
IUPAC Name: 8-hydroxy-3-methyl-2-[1-(3-phenoxyphenyl)ethyl]-6,7,8,8a-tetrahydropyrrolo[2,1-b][1,3]oxazin-4-one
Structure
SMILES: CC1=C(C(C)C2=CC=CC(OC3=CC=CC=C3)=C2)OC2C(O)CCN2C1=O
InChI: InChI=1S/C22H23NO4/c1-14(20-15(2)21(25)23-12-11-19(24)22(23)27-20)16-7-6-10-18(13-16)26-17-8-4-3-5-9-17/h3-10,13-14,19,22,24H,11-12H2,1-2H3
InChIKey: JEMRWTBDJCHWAI-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium brevicompactum | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 365.42900000000014
TPSA？: 59.0
MolLogP？: 3.805900000000004
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bos taurus | NADH-ubiquinone oxidoreductase chain 1 | IC50 | 3130.0 | nM | 10.1021/jf058075f |
| Bos taurus | NADH-ubiquinone oxidoreductase chain 1 | IC50 | 5480.0 | nM | 10.1021/jf058075f |
| Bos taurus | NADH-ubiquinone oxidoreductase chain 1 | IC50 | 11930.0 | nM | 10.1021/jf058075f |
| Bos taurus | NADH-ubiquinone oxidoreductase chain 1 | IC50 | 14310.0 | nM | 10.1021/jf058075f |