Isocorydione
AlkaPlorer ID: AK075724
Synonym: Sonodione
IUPAC Name: 4,15,16-trimethoxy-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(OC)=C(OC)C4=C2C1=O)CCN3C
InChI: InChI=1S/C20H19NO5/c1-21-6-5-10-7-15(25-3)20(26-4)18-16(10)12(21)8-11-13(22)9-14(24-2)19(23)17(11)18/h7-9H,5-6H2,1-4H3
InChIKey: LOVFEXLCRYBVRA-UHFFFAOYSA-N
Reference
PubChem CID: 10689393
CAS: 75652-90-3
LOTUS: LTS0181661
SuperNatural Ⅲ: SN0211384
COCONUT: CNP0213478
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hernandia sonora | Hernandia | Hernandiaceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Dehaasia | Lauraceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 353.37400000000014
TPSA？: 65.07000000000001
MolLogP？: 2.7586000000000013
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | CAL-27 | IC50 | 10500.0 | nM | 10.1016/j.ejmech.2021.113165 |
| Homo sapiens | Cyclooxygenase-2 | Inhibition | 93.2 | % | 10.1016/j.ejmech.2021.113165 |
| Homo sapiens | Detroit 562 | IC50 | 10500.0 | nM | 10.1016/j.ejmech.2021.113165 |
| Homo sapiens | HeLa | IC50 | 31340.0 | nM | 10.1016/j.bmc.2017.10.027 |
| Homo sapiens | HEp-2 | IC50 | 10500.0 | nM | 10.1016/j.ejmech.2021.113165 |
| Homo sapiens | HepG2 | IC50 | 40020.0 | nM | 10.1016/j.bmc.2017.10.027 |
| Homo sapiens | MGC-803 | IC50 | 49570.0 | nM | 10.1016/j.bmc.2017.10.027 |
| Homo sapiens | SCL-1 | IC50 | 10500.0 | nM | 10.1016/j.ejmech.2021.113165 |
| Homo sapiens | UMSCC1 | IC50 | 10500.0 | nM | 10.1016/j.ejmech.2021.113165 |
| None | Unchecked | IC50 | 10500.0 | nM | 10.1016/j.ejmech.2021.113165 |