Cyclopiamide E; N-De-Me
AlkaPlorer ID: AK106768
Synonym: N-Demethylcyclopiamide E
IUPAC Name: 5,9,9-trimethyl-4,8,17-triazapentacyclo[10.6.1.02,10.03,8.016,19]nonadeca-1(19),2(10),3,5,11,13,15-heptaene-7,18-dione
Structure
SMILES: CC1=CC(=O)N2C(=N1)C1=C(C=C3C=CC=C4N=C(O)C1=C43)C2(C)C
InChI: InChI=1S/C19H15N3O2/c1-9-7-13(23)22-17(20-9)15-11(19(22,2)3)8-10-5-4-6-12-14(10)16(15)18(24)21-12/h4-8H,1-3H3,(H,21,24)
InChIKey: UVGGYMKLNRBJOI-UHFFFAOYSA-N
Reference
Griseofulvin Derivative and Indole Alkaloids from <i>Penicillium griseofulvum</i> CPCC 400528
PubChem CID: 137206669
LOTUS: LTS0032984
NPASS: NPC480024
COCONUT: CNP0073241
{NPAtlas: NPA022196
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium griseofulvum | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 317.3480000000001
TPSA？: 67.48
MolLogP？: 3.418420000000002
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 5
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 | 20500.0 | nM | 10.1021/acs.jnatprod.6b00829 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 64.0 | ug.mL-1 | 10.1021/acs.jnatprod.6b00829 |