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CHEBI:66618 - nepalensinol F

Default Structure
ChEBI IDCHEBI:66618
ChEBI Namenepalensinol F
Stars
DefinitionA stilbenoid isolated from the stems of Kobresia nepalensis and has been shown to exhibit inhibitory activity against topoisomerase II.
Last Modified16 April 2013
DownloadsMolfile
FormulaC56H42O12
Net Charge0
Average Mass906.940
Monoisotopic Mass906.26763
SMILES[H][C@]12c3cc(O)cc(O)c3[C@@H](c3ccc(O)cc3)[C@]([H])([C@]3([H])c4cc(O)cc5c4[C@]([H])(c4cc(O)cc(O)c4[C@H]3c3ccc(O)cc3)[C@@H](c3ccc(O)cc3)O5)c3cc(O)cc(c31)O[C@@H]2c1ccc(O)cc1
InChIInChI=1S/C56H42O12/c57-29-9-1-25(2-10-29)45-47-37(17-33(61)21-41(47)65)53-49-39(19-35(63)23-43(49)67-55(53)27-5-13-31(59)14-6-27)51(45)52-40-20-36(64)24-44-50(40)54(56(68-44)28-7-15-32(60)16-8-28)38-18-34(62)22-42(66)48(38)46(52)26-3-11-30(58)12-4-26/h1-24,45-46,51-66H/t45-,46-,51-,52-,53+,54+,55-,56-/m1/s1
InChIKeyYQQUILZPDYJDQJ-RNDSKEHMSA-N
Species of MetaboliteComponentSourceComments
Kobresia nepalensis (ncbitaxon:58223) stem (BTO:0001300) PubMed (16508191)
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor  A topoisomerase inhibitor that inhibits DNA topoisomerase (ATP-hydrolysing), EC 5.99.1.3 (also known as topoisomerase II and as DNA gyrase), which catalyses ATP-dependent breakage of both strands of DNA, passage of the unbroken strands through the breaks, and rejoining of the broken strands.
ChEBI Ontology
Outgoing Relation(s)
nepalensinol F (CHEBI:66618) has role EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor (CHEBI:50750)
nepalensinol F (CHEBI:66618) has role metabolite (CHEBI:25212)
nepalensinol F (CHEBI:66618) is a cyclic ether (CHEBI:37407)
nepalensinol F (CHEBI:66618) is a organic heterotetracyclic compound (CHEBI:38163)
nepalensinol F (CHEBI:66618) is a polyphenol (CHEBI:26195)
nepalensinol F (CHEBI:66618) is a stilbenoid (CHEBI:26776)
IUPAC Name 
(1S,1'S,6S,6'S,7R,7'R,11bS,11b'S)-1,1',7,7'-tetrakis(4-hydroxyphenyl)-1,1',6,6',7,7',11b,11b'-octahydro-6,6'-bi-2-oxadibenzo[cd,h]azulene-4,4',8,8',10,10'-hexol
Registry NumbersSources
Reaxys:10415816Reaxys
Citations