4'-demethoxy-4'-N-isopentylisogriseofulvin
AlkaPlorer ID: AK106779
Synonym: None
IUPAC Name: (2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3'-(3-methylbutylamino)spiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione
Structure
SMILES: COC1=CC(OC)=C2C(=O)[C@@]3(OC2=C1Cl)C(=O)C=C(NCCC(C)C)C[C@H]3C
InChI: InChI=1S/C21H26ClNO5/c1-11(2)6-7-23-13-8-12(3)21(16(24)9-13)20(25)17-14(26-4)10-15(27-5)18(22)19(17)28-21/h9-12,23H,6-8H2,1-5H3/t12-,21+/m1/s1
InChIKey: FWXSSMAVADBBBU-GTJPDFRWSA-N
Reference
Griseofulvin Derivative and Indole Alkaloids from <i>Penicillium griseofulvum</i> CPCC 400528
PubChem CID: 129909733
LOTUS: LTS0003683
NPASS: NPC480023
{NPAtlas: NPA022195
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium griseofulvum | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 407.8940000000002
TPSA？: 73.86
MolLogP？: 3.7996000000000025
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 3
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 | 33200.0 | nM | 10.1021/acs.jnatprod.6b00829 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 64.0 | ug.mL-1 | 10.1021/acs.jnatprod.6b00829 |