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CHEBI:233285 - bouvardin

ChEBI IDCHEBI:233285
ChEBI Namebouvardin
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC40H48N6O10
Net Charge0
Average Mass772.856
Monoisotopic Mass772.34319
SMILESCOc1ccc(CC2/C(O)=N\C(C)C(=O)N(C)C3C(=O)N(C)C(Cc4ccc(O)c(c4)Oc4ccc(cc4)C3O)/C(O)=N\C(C)/C(O)=N\C(C)C(=O)N2C)cc1
InChIInChI=1S/C40H48N6O10/c1-21-35(49)42-22(2)38(52)44(4)29(18-24-8-13-27(55-7)14-9-24)37(51)43-23(3)39(53)46(6)33-34(48)26-11-15-28(16-12-26)56-32-20-25(10-17-31(32)47)19-30(36(50)41-21)45(5)40(33)54/h8-17,20-23,29-30,33-34,47-48H,18-19H2,1-7H3,(H,41,50)(H,42,49)(H,43,51)
InChIKeyTWOWSRSKGJSZHZ-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Bouvardia ternifolia (ncbitaxon:29783) - DOI ( doi:10.1021/ja00098a015)
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
bouvardin (CHEBI:233285) has role antineoplastic agent (CHEBI:35610)
bouvardin (CHEBI:233285) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
17,24-dihydroxy-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone
Synonym  Source
NSC 259968SUBMITTER
Manual XrefsDatabases
https://en.wikipedia.org/wiki/BouvardinWikipedia
Registry NumbersSources
CAS:64755-14-2SUBMITTER
Citations