2-demethylsperadine F
AlkaPlorer ID: AK106773
Synonym: None
IUPAC Name: (1R,2R,3S,4R,5S,9R)-5-acetyl-3,4,5-trihydroxy-8,8-dimethyl-19-oxa-7,16-diazahexacyclo[9.6.1.11,4.02,9.03,7.015,18]nonadeca-11(18),12,14-triene-6,17-dione
Structure
SMILES: CC(=O)[C@@]1(O)C(=O)N2C(C)(C)[C@@H]3CC4=CC=CC5=C4[C@@]4(O[C@@]1(O)[C@@]2(O)[C@H]34)C(O)=N5
InChI: InChI=1S/C20H20N2O7/c1-8(23)18(26)15(25)22-16(2,3)10-7-9-5-4-6-11-12(9)17(14(24)21-11)13(10)19(22,27)20(18,28)29-17/h4-6,10,13,26-28H,7H2,1-3H3,(H,21,24)/t10-,13-,17+,18-,19+,20-/m1/s1
InChIKey: XQCRMAWEEAMNOR-SMITWXTISA-N
Reference
Griseofulvin Derivative and Indole Alkaloids from <i>Penicillium griseofulvum</i> CPCC 400528
PubChem CID: 129909734
LOTUS: LTS0270015
NPASS: NPC480025
{NPAtlas: NPA022197
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium griseofulvum | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 400.3870000000001
TPSA？: 139.89
MolLogP？: -0.3661000000000006
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli | Escherichia coli | MIC | 64.0 | ug.mL-1 | 10.1021/acs.jnatprod.6b00829 |
| Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | IC50 | 70100.0 | nM | 10.1021/acs.jnatprod.6b00829 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 64.0 | ug.mL-1 | 10.1021/acs.jnatprod.6b00829 |