Cepharanthine; N2-Oxide 

AlkaPlorer ID: AK291942

Synonym: Cepharanthine 2-N-oxide 

IUPAC Name: 22,33-dimethoxy-13,28-dimethyl-28-oxido-2,5,7,20-tetraoxa-13-aza-28-azoniaoctacyclo[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

Structure

SMILES: COC1=CC=C2C=C1OC1=CC=C(C=C1)CC1C3=C(C=C4OCOC4=C3OC3=C(OC)C=C4CC[N+](C)([O-])C(C2)C4=C3)CCN1C

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InChI: InChI=1S/C37H38N2O7/c1-38-13-11-25-19-34-36(44-21-43-34)37-35(25)28(38)15-22-5-8-26(9-6-22)45-32-17-23(7-10-30(32)41-3)16-29-27-20-33(46-37)31(42-4)18-24(27)12-14-39(29,2)40/h5-10,17-20,28-29H,11-16,21H2,1-4H3

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InChIKey: JOWDDWCZVCXMSG-UHFFFAOYSA-N

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Reference

Source

Properties Information

Molecule Weight: 622.7180000000001

TPSA: 81.68

MolLogP: 6.886500000000008

Number of H-Donors: 0

Number of H-Acceptors: 8

RingCount: 9

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information