Oxodiscoguattine
AlkaPlorer ID: AK037982
Synonym: None
IUPAC Name: 16,18-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14(19),15,17-octaen-13-one
Structure
SMILES: COC1=CC(OC)=C2C(=C1)C(=O)C1=NC=CC3=CC4=C(OCO4)C2=C13
InChI: InChI=1S/C19H13NO5/c1-22-10-6-11-15(12(7-10)23-2)16-14-9(3-4-20-17(14)18(11)21)5-13-19(16)25-8-24-13/h3-7H,8H2,1-2H3
InChIKey: UMPOYLHHDRUHOO-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dasymaschalon dasymaschalum | Dasymaschalon | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 335.31500000000017
TPSA？: 66.88000000000001
MolLogP？: 3.1921000000000017
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | ADMET | CC50 | 32300.0 | nM | 10.1016/j.bmc.2006.10.034 |
| None | B-cell | IC50 | 2150.0 | nM | 10.1016/j.bmc.2006.10.034 |
| None | T-cell | IC50 | 3580.0 | nM | 10.1016/j.bmc.2006.10.034 |
| None | T-cell | Ratio CC50/IC50 | 15.0 | None | 10.1016/j.bmc.2006.10.034 |
| None | Unchecked | Ratio CC50/IC50 | 9.0 | None | 10.1016/j.bmc.2006.10.034 |