3-(4-Hydroxyphenyl)-4-(2-methylpropyl)-1H-pyrrole-2,5-dione; O-(3-Methyl-2-butenyl)
AlkaPlorer ID: AK067905
Synonym: 3-[4-(3-Methyl-2-butenyloxy)phenyl]-4-(2-methylpropyl)-1H-pyrrole-2,5-dione, 2-Isobutyl-3-(4-prenyloxyphenyl)maleimide, Antrodin B, Camphorataimide B, Antropyrroledione
IUPAC Name: 3-[4-(3-methylbut-2-enoxy)phenyl]-4-(2-methylpropyl)pyrrole-2,5-dione
Structure
SMILES: CC(C)=CCOC1=CC=C(C2=C(CC(C)C)C(=O)NC2=O)C=C1
InChI: InChI=1S/C19H23NO3/c1-12(2)9-10-23-15-7-5-14(6-8-15)17-16(11-13(3)4)18(21)20-19(17)22/h5-9,13H,10-11H2,1-4H3,(H,20,21,22)
InChIKey: AILGRWSIRAPLCJ-UHFFFAOYSA-N
Reference
PubChem CID: 5255246
LOTUS: LTS0169860
SuperNatural Ⅲ: SN0006522
NPASS: NPC169766
COCONUT: CNP0309764
{NPAtlas: NPA013897
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Antrodia | Fomitopsidaceae | Polyporales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
| Antrodia cinnamomea | Antrodia | Fomitopsidaceae | Polyporales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 313.397
TPSA？: 55.4
MolLogP？: 3.487700000000002
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Hepatitis C virus genotype 1a (isolate H) (HCV) | Genome polyprotein | IC50 | 54000.0 | nM | None |
| Mus musculus | RAW264.7 | Activity | 10.6 | uM | 10.1021/np070634k |
| Mus musculus | RAW264.7 | Activity | 69.1 | % | 10.1021/np070634k |
| None | NON-PROTEIN TARGET | ED50 | 3.6 | ug ml-1 | 10.1021/np030293k |