Structure

Cepharanthine

CAS
481-49-2
Catalog Number
ACM481492
Category
Inhibitors
Molecular Weight
606.71
Molecular Formula
C37H38N2O6

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Specification

Description
Cepharanthine is a natural product isolated from the plant Stephania cephalantha Hayata. Cepharanthine has anti-severe acute respiratory syndrome coronavirus 2 (anti-SARS-CoV-2) activity. Cepharanthine has good effective in suppressing viral proliferation (half maximal (50%) inhibitory concentration (IC50) and 90% inhibitory concentration (IC90) values of 1.90 and 4.46 µM.
Synonyms
o-Methylcepharanoline
IUPAC Name
(14S,27R)-22,33-dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.216,19.13,10.121,25.04,8.031,35.014,39]nonatriaconta-1(33),3(39),4(8),9,16(38),17,19(37),21,23,25(36),31,34-dodecaene
Canonical SMILES
CN1CCC2=CC3=C(C4=C2[C@@H]1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)C[C@@H]7C8=CC(=C(C=C8CCN7C)OC)O4)OC)OCO3
InChI
InChI=1S/C37H38N2O6/c1-38-13-11-24-18-31(41-4)33-20-27(24)28(38)16-23-7-10-30(40-3)32(17-23)44-26-8-5-22(6-9-26)15-29-35-25(12-14-39(29)2)19-34-36(37(35)45-33)43-21-42-34/h5-10,17-20,28-29H,11-16,21H2,1-4H3/t28-,29+/m1/s1
InChI Key
YVPXVXANRNDGTA-WDYNHAJCSA-N
Melting Point
145-155 °C
Appearance
Solid
Storage
Powder-20°C, 3 years; 4°C, 2 years; In solvent-80°C, 6 months; -20°C, 1 month.
Hydrogen Bond Acceptor Count
8
Hydrogen Bond Donor Count
0
Isomeric SMILES
CN1CCC2=CC3=C(C4=C2[C@@H]1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)C[C@@H]7C8=CC(=C(C=C8CCN7C)OC)O4)OC)OCO3
Shipping
Can be shipped at room temperature, where not in use may vary.
Source
PlantsMenispermaceaeStephania japonica (Thunb.) MiersPlantsMenispermaceaeStephania cepharantha Hayata
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