Citriquinochroman
AlkaPlorer ID: AK036358
Synonym: None
IUPAC Name: 14-[(1S,3S)-6-hydroxy-8-methoxy-3,5-dimethyl-3,4-dihydro-1H-isochromen-1-yl]-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7,11,13-hexaene-2,16-dione
Structure
SMILES: COC1=CC(O)=C(C)C2=C1[C@@H](C1=CC=C3C4=C(C(=O)N31)C(=O)C1=CC=CC=C1N4)O[C@@H](C)C2
InChI: InChI=1S/C26H22N2O5/c1-12-10-15-13(2)19(29)11-20(32-3)21(15)25(33-12)18-9-8-17-23-22(26(31)28(17)18)24(30)14-6-4-5-7-16(14)27-23/h4-9,11-12,25,29H,10H2,1-3H3,(H,27,30)/t12-,25+/m0/s1
InChIKey: YMMHCLHJARLKFK-UOXLDJKESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium citrinum | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 442.4710000000002
TPSA？: 93.55
MolLogP？: 4.071720000000003
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli | Escherichia coli | Activity | nan | None | 10.1021/np4001366 |
| Mus musculus | L5178Y | IC50 | 6100.0 | nM | 10.1021/np4001366 |
| Staphylococcus aureus | Staphylococcus aureus | Activity | nan | None | 10.1021/np4001366 |
| Streptococcus pneumoniae | Streptococcus pneumoniae | Activity | nan | None | 10.1021/np4001366 |