2-((4-Butylphenyl)amino)-5-methoxy-3-methylcyclohexa-2_5-diene-1_4-dione
AlkaPlorer ID: AK012411
Synonym: '2-((4-Butylphenyl)amino)-5-methoxy-3-methylcyclohexa-2_5-diene-1_4-dione'
IUPAC Name: 2-(4-butylanilino)-5-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione
Structure
SMILES: CCCCC1=CC=C(NC2=C(C)C(=O)C(OC)=CC2=O)C=C1
InChI: InChI=1S/C18H21NO3/c1-4-5-6-13-7-9-14(10-8-13)19-17-12(2)18(21)16(22-3)11-15(17)20/h7-11,19H,4-6H2,1-3H3
InChIKey: RFYQGKUTWAUUJW-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Xylaria feejeensis | Xylaria | Xylariaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 299.37
TPSA？: 55.4
MolLogP？: 3.3972000000000016
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|