3-(4-Hydroxyphenyl)-4-(2-methylpropyl)-1H-pyrrole-2,5-dione; O-(3-Methyl-2-butenyl), N-acetoxy
AlkaPlorer ID: AK069648
Synonym: Antrocinnamomin A
IUPAC Name: [3-[4-(3-methylbut-2-enoxy)phenyl]-4-(2-methylpropyl)-2,5-dioxopyrrol-1-yl] acetate
Structure
SMILES: CC(=O)ON1C(=O)C(CC(C)C)=C(C2=CC=C(OCC=C(C)C)C=C2)C1=O
InChI: InChI=1S/C21H25NO5/c1-13(2)10-11-26-17-8-6-16(7-9-17)19-18(12-14(3)4)20(24)22(21(19)25)27-15(5)23/h6-10,14H,11-12H2,1-5H3
InChIKey: UZWGAKUWSJOJSJ-UHFFFAOYSA-N
Reference
PubChem CID: 24970517
LOTUS: LTS0194338
SuperNatural Ⅲ: SN0384613
NPASS: NPC196708
COCONUT: CNP0265119
{NPAtlas: NPA019549
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Antrodia cinnamomea | Antrodia | Fomitopsidaceae | Polyporales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 371.43300000000016
TPSA？: 72.91
MolLogP？: 3.678200000000003
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | RAW264.7 | Activity | 12.5 | uM | 10.1021/np070634k |
| Mus musculus | RAW264.7 | Activity | 91.1 | % | 10.1021/np070634k |