Sinactine; (±)-form, O2-De-Me
AlkaPlorer ID: AK313573
Synonym: None
IUPAC Name: 17-methoxy-5,7-dioxa-1-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-16-ol
Structure
SMILES: COC1=CC2=C(C=C1O)C1CC3=C(CN1CC2)C1=C(C=C3)OCO1
InChI: InChI=1S/C19H19NO4/c1-22-18-7-12-4-5-20-9-14-11(2-3-17-19(14)24-10-23-17)6-15(20)13(12)8-16(18)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3
InChIKey: FVXCQULKSPVRPK-UHFFFAOYSA-N
Reference
Antiplasmodial agents from the Bhutanese medicinal plant <i>Corydalis calliantha</i>
PubChem CID: 5117621
LOTUS: LTS0143252
NPASS: NPC232514
COCONUT: CNP0213823.1
data_source: manually
Source
Properties Information
Molecule Weight: 325.36400000000003
TPSA？: 51.16000000000001
MolLogP？: 2.785000000000001
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 20630.0 | nM | 10.1016/j.bmcl.2010.06.035 |
| Homo sapiens | GES1 | IC50 | 114000.0 | nM | 10.1016/j.bmc.2022.116705 |
| Homo sapiens | HCT-15 | IC50 | 29840.0 | nM | 10.1016/j.bmcl.2010.06.035 |
| Homo sapiens | HGC-27 | IC50 | 38300.0 | nM | 10.1016/j.bmc.2022.116705 |
| Homo sapiens | MGC-803 | IC50 | 83200.0 | nM | 10.1016/j.bmc.2022.116705 |
| Homo sapiens | SK-MEL-2 | IC50 | 22240.0 | nM | 10.1016/j.bmcl.2010.06.035 |
| Homo sapiens | SK-OV-3 | IC50 | 27410.0 | nM | 10.1016/j.bmcl.2010.06.035 |
| Mus musculus | RAW264.7 | IC50 | 1880.0 | nM | 10.1016/j.bmcl.2018.05.039 |