Isocorydione; O2-De-Me
AlkaPlorer ID: AK302794
Synonym: 2-Demethylisocorydione
IUPAC Name: 15-hydroxy-4,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,4,7,9(17),13,15-hexaene-3,6-dione
Structure
SMILES: COC1=CC(=O)C2=CC3=C4C(=CC(O)=C(OC)C4=C2C1=O)CCN3C
InChI: InChI=1S/C19H17NO5/c1-20-5-4-9-6-13(22)19(25-3)17-15(9)11(20)7-10-12(21)8-14(24-2)18(23)16(10)17/h6-8,22H,4-5H2,1-3H3
InChIKey: ACOMMRYCQCASIA-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lycoris aurea | Lycoris | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 339.3470000000001
TPSA？: 76.07000000000001
MolLogP？: 2.4556000000000004
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | CAL-27 | IC50 | 8700.0 | nM | 10.1016/j.ejmech.2021.113165 |
| Homo sapiens | Cyclooxygenase-2 | Inhibition | 96.5 | % | 10.1016/j.ejmech.2021.113165 |
| Homo sapiens | Detroit 562 | IC50 | 8700.0 | nM | 10.1016/j.ejmech.2021.113165 |
| Homo sapiens | HEp-2 | IC50 | 8700.0 | nM | 10.1016/j.ejmech.2021.113165 |
| Homo sapiens | SCL-1 | IC50 | 8700.0 | nM | 10.1016/j.ejmech.2021.113165 |
| Homo sapiens | UMSCC1 | IC50 | 8700.0 | nM | 10.1016/j.ejmech.2021.113165 |
| None | Unchecked | IC50 | 8700.0 | nM | 10.1016/j.ejmech.2021.113165 |