(4R_5R_6R)-4_5-Dihydroxy-3-methoxy-5-methyl-6-(phenylamino)cyclohex-2-enone
AlkaPlorer ID: AK012498
Synonym: '(4R_5R_6R)-4_5-Dihydroxy-3-methoxy-5-methyl-6-(phenylamino)cyclohex-2-enone'
IUPAC Name: (4R,5R,6R)-6-anilino-4,5-dihydroxy-3-methoxy-5-methylcyclohex-2-en-1-one
Structure
SMILES: COC1=CC(=O)[C@H](NC2=CC=CC=C2)[C@@](C)(O)[C@H]1O
InChI: InChI=1S/C14H17NO4/c1-14(18)12(15-9-6-4-3-5-7-9)10(16)8-11(19-2)13(14)17/h3-8,12-13,15,17-18H,1-2H3/t12-,13-,14+/m0/s1
InChIKey: GUAACJNCCYVZCM-MELADBBJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Xylaria feejeensis | Xylaria | Xylariaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 263.293
TPSA？: 78.79
MolLogP？: 0.6919999999999997
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|