3-(4-Hydroxyphenyl)-4-(2-methylpropyl)-1H-pyrrole-2,5-dione; O-(3-Methyl-2-butenyl), N-hydroxy
AlkaPlorer ID: AK044285
Synonym: Antrodin C, Camphorataimide C
IUPAC Name: 1-hydroxy-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)N(O)C2=O)C=C1
InChI: InChI=1S/C19H23NO4/c1-12(2)9-10-24-15-7-5-14(6-8-15)17-16(11-13(3)4)18(21)20(23)19(17)22/h5-9,13,23H,10-11H2,1-4H3
InChIKey: OJSZXJGYUVZRNU-UHFFFAOYSA-N
Reference
PubChem CID: 641729
LOTUS: LTS0093142
SuperNatural Ⅲ: SN0267346
NPASS: NPC132308
COCONUT: CNP0312878
{NPAtlas: NPA008115
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: 329.396
TPSA？: 66.84
MolLogP？: 3.589300000000001
Number of H-Donors: 1
Number of H-Acceptors: 4
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 | 6500.0 | nM | None |
| Mus musculus | RAW264.7 | Activity | 18.3 | uM | 10.1021/np070634k |
| Mus musculus | RAW264.7 | Activity | 86.8 | % | 10.1021/np070634k |
| None | NON-PROTEIN TARGET | ED50 | 7.5 | ug ml-1 | 10.1021/np030293k |