Cissampareine
AlkaPlorer ID: AK004669
Synonym: None
IUPAC Name: (16R)-9,10,25-trimethoxy-15-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.218,21.18,12.027,31.016,35]heptatriaconta-1(30),3(37),4,6(36),8(35),9,11,18,20,24,26,31,33-tridecaen-32-ol
Structure
SMILES: COC1=CC2=C3C(=NCC2)CC2=CC=C(C=C2)OC2=C(OC)C(OC)=CC4=C2[C@@H](CC2=CC=C(C=C2)COC1=C3O)N(C)CC4
InChI: InChI=1S/C37H38N2O6/c1-39-16-14-26-20-31(42-3)36(43-4)37-33(26)29(39)18-23-5-7-24(8-6-23)21-44-35-30(41-2)19-25-13-15-38-28(32(25)34(35)40)17-22-9-11-27(45-37)12-10-22/h5-12,19-20,29,40H,13-18,21H2,1-4H3/t29-/m1/s1
InChIKey: CXLYPEWFHWCEFN-GDLZYMKVSA-N
Reference
PubChem CID: 254905
CAS: 32728-54-4
LOTUS: LTS0254717
SuperNatural Ⅲ: SN0058261-01
NPASS: NPC234318
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cissampelos pareira | Cissampelos | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 606.7190000000002
TPSA？: 81.98
MolLogP？: 6.462300000000009
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | U-937 | Activity | 78.0 | % | 10.1016/j.bmc.2012.06.017 |
| Homo sapiens | U-937 | FC | 0.5 | None | 10.1016/j.bmc.2012.06.017 |
| Homo sapiens | U-937 | IC50 | 50000.0 | nM | 10.1016/j.bmc.2012.06.017 |
| Homo sapiens | U-937 | MED | 50.0 | uM | 10.1016/j.bmc.2012.06.017 |