Cepharadione B; O2,N-Di-de-Me
AlkaPlorer ID: AK016702
Synonym: 2-Hydroxy-1-methoxy-4H-dibenzo[de,g]quinoline-4,5-dione, 4,5-Dioxodehydroasimilobine, Noraristolodione
IUPAC Name: 15-hydroxy-16-methoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-11,12-dione
Structure
SMILES: COC1=C(O)C=C2C(=O)C(=O)NC3=CC4=CC=CC=C4C1=C32
InChI: InChI=1S/C17H11NO4/c1-22-16-12(19)7-10-13-11(18-17(21)15(10)20)6-8-4-2-3-5-9(8)14(13)16/h2-7,19H,1H3,(H,18,21)
InChIKey: FPIKZASYTJSPJN-UHFFFAOYSA-N
Reference
Teliglazine, a New Oxoaporphine Alkaloid from <i>Telitoxicum glaziovii</i>
PubChem CID: 10108434
CAS: 82644-81-3
LOTUS: LTS0041010
NPASS: NPC298449
COCONUT: CNP0219670
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 293.2780000000001
TPSA？: 75.63
MolLogP？: 2.8420000000000005
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Neuroepithelial cell-transforming gene 1 protein | Inhibition | 4.0 | % | 10.1021/acs.jnatprod.8b00209 |
| Homo sapiens | Rho guanine nucleotide exchange factor 1 | Inhibition | 0.0 | % | 10.1021/acs.jnatprod.8b00209 |
| Mus musculus | RAW264.7 | IC50 | 10000.0 | nM | 10.1016/j.bmcl.2017.04.072 |
| None | ADMET | CC50 | 5150.0 | nM | 10.1016/j.bmc.2006.10.034 |
| None | B-cell | IC50 | 312.0 | nM | 10.1016/j.bmc.2006.10.034 |
| None | Platelet | Inhibition | 40.6 | % | 10.1021/np000063v |
| None | Platelet | Inhibition | 65.8 | % | 10.1021/np000063v |
| None | Platelet | Inhibition | 72.0 | % | 10.1021/np000063v |
| None | Platelet | Inhibition | 82.5 | % | 10.1021/np000063v |
| None | Platelet | Inhibition | 84.7 | % | 10.1021/np000063v |
| None | Platelet | Inhibition | 88.7 | % | 10.1021/np000063v |
| None | T-cell | IC50 | 4930.0 | nM | 10.1016/j.bmc.2006.10.034 |
| None | T-cell | Ratio CC50/IC50 | 17.0 | None | 10.1016/j.bmc.2006.10.034 |
| None | Unchecked | Ratio CC50/IC50 | 1.0 | None | 10.1016/j.bmc.2006.10.034 |