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CHEBI:3546 - cepharanthine

ChEBI IDCHEBI:3546
ChEBI Namecepharanthine
Stars
DefinitionA bisbenzylisoquinoline alkaloid from tubers of Stephania; stimulates recovery of immunologic function in lymphatic system after administration of antineoplastic agents or x-irradiation.
Last Modified12 August 2016
DownloadsMolfile
FormulaC37H38N2O6
Net Charge0
Average Mass606.719
Monoisotopic Mass606.27299
SMILESCOc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CCN(C)[C@@H]5C2)OCO4)CCN1C
InChIInChI=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
InChIKeyYVPXVXANRNDGTA-WDYNHAJCSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
cepharanthine (CHEBI:3546) is a bisbenzylisoquinoline alkaloid (CHEBI:133004)
cepharanthine (CHEBI:3546) is a isoquinolines (CHEBI:24922)
IUPAC Name 
(14S,27R)-22,33-dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.216,19.13,10.121,25.04,8.014,39.031,35]nonatriaconta-1(33),3,8,10(39),16,18,21(36),22,24,31,34,37-dodecaene
Synonyms  Source
CepharanthineKEGG COMPOUND
(+)-CepharanthineChemIDplus
6',12'-Dimethoxy-2,2'-dimethyl-6,7-(methylenebis(oxy))oxyacanthanChemIDplus
Manual XrefsDatabases
C09391KEGG COMPOUND
C00001836KNApSAcK
D01035KEGG DRUG
Registry NumbersSources
Reaxys:75231Reaxys
CAS:481-49-2KEGG COMPOUND
CAS:481-49-2ChemIDplus
Citations