Discoguattine; (R)-form
AlkaPlorer ID: AK296835
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),7,14(19),15,17-hexaene
Structure
SMILES: COC1=CC2=C(C(OC)=C1)C1=C3C(=CC4=C1OCO4)CCNC3C2
InChI: InChI=1S/C19H19NO4/c1-21-12-5-11-6-13-16-10(3-4-20-13)7-15-19(24-9-23-15)18(16)17(11)14(8-12)22-2/h5,7-8,13,20H,3-4,6,9H2,1-2H3
InChIKey: RYQZFXDNXUJJOP-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Fissistigma oldhamii | Fissistigma | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Guatteria discolor | Guatteria | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 325.3640000000001
TPSA？: 48.95
MolLogP？: 2.8424000000000005
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | ADMET | CC50 | 15600.0 | nM | 10.1016/j.bmc.2006.10.034 |
| None | B-cell | IC50 | 1690.0 | nM | 10.1016/j.bmc.2006.10.034 |
| None | T-cell | IC50 | 2430.0 | nM | 10.1016/j.bmc.2006.10.034 |
| None | T-cell | Ratio CC50/IC50 | 9.0 | None | 10.1016/j.bmc.2006.10.034 |
| None | Unchecked | Ratio CC50/IC50 | 6.0 | None | 10.1016/j.bmc.2006.10.034 |