Cyclopiamide E
AlkaPlorer ID: AK085186
Synonym: None
IUPAC Name: 5,9,9,17-tetramethyl-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=C4C3=C1C(=O)N4C)C2(C)C
InChI: InChI=1S/C20H17N3O2/c1-10-8-14(24)23-18(21-10)16-12(20(23,2)3)9-11-6-5-7-13-15(11)17(16)19(25)22(13)4/h5-9H,1-4H3
InChIKey: HWVSEBJIGPDHQU-UHFFFAOYSA-N
Reference
PubChem CID: 122218855
LOTUS: LTS0106641
NPASS: NPC480026
COCONUT: CNP0146822
{NPAtlas: NPA018427
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium commune | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| Penicillium griseofulvum | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 331.3750000000001
TPSA？: 55.2
MolLogP？: 3.058720000000002
Number of H-Donors: 0
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 | 77900.0 | nM | 10.1021/acs.jnatprod.6b00829 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 64.0 | ug.mL-1 | 10.1021/acs.jnatprod.6b00829 |