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CHEBI:132869 - cyclomulberrin

Default Structure
ChEBI IDCHEBI:132869
ChEBI Namecyclomulberrin
Stars
DefinitionA extended flavonoid that is 6H,7H-chromeno[4,3-b]chromen-7-one which is substituted by a 2-methylprop-1-en-1-yl group at position 6, a 3-methylbut-2-en-1-yl group at position 11, and hydroxy groups at positions 3, 8, and 10. It is found in the bark of Morus species and has been reported to protect human neuronal cells derived from the human neuroblastoma SH-SY5Y cell line.
Last Modified25 August 2016
Submitterliuqingping
DownloadsMolfile
FormulaC25H24O6
Net Charge0
Average Mass420.461
Monoisotopic Mass420.15729
SMILESCC(C)=CCc1c(O)cc(O)c2c(=O)c3c(oc12)-c1ccc(O)cc1OC3C=C(C)C
InChIInChI=1S/C25H24O6/c1-12(2)5-7-15-17(27)11-18(28)21-23(29)22-20(9-13(3)4)30-19-10-14(26)6-8-16(19)25(22)31-24(15)21/h5-6,8-11,20,26-28H,7H2,1-4H3
InChIKeySYFDWXWLRGHYAJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Morus (ncbitaxon:3497) - PubMed (22297755) From root bark
Morus alba (ncbitaxon:3498) - PubMed (20815207)
Morus alba var. atropurpurea (ncbitaxon:1453101) twig (BTO:0001411) PubMed (19149258)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
protective agent  Synthetic or natural substance which is given to prevent a disease or disorder or are used in the process of treating a disease or injury due to a poisonous agent.
ChEBI Ontology
Outgoing Relation(s)
cyclomulberrin (CHEBI:132869) has role plant metabolite (CHEBI:76924)
cyclomulberrin (CHEBI:132869) has role protective agent (CHEBI:50267)
cyclomulberrin (CHEBI:132869) is a chromenochromene (CHEBI:133135)
cyclomulberrin (CHEBI:132869) is a cyclic ketone (CHEBI:3992)
cyclomulberrin (CHEBI:132869) is a extended flavonoid (CHEBI:71037)
cyclomulberrin (CHEBI:132869) is a organic heterotetracyclic compound (CHEBI:38163)
cyclomulberrin (CHEBI:132869) is a polyphenol (CHEBI:26195)
Incoming Relation(s)
cyclomorusin A (CHEBI:132868) has functional parent cyclomulberrin (CHEBI:132869)
IUPAC Name 
3,8,10-trihydroxy-11-(3-methylbut-2-en-1-yl)-6-(2-methylprop-1-en-1-yl)-6H,7H-chromeno[4,3-b]chromen-7-one
Manual XrefsDatabases
C00004061KNApSAcK
HMDB0030688HMDB
Registry NumbersSources
Reaxys:1631347Reaxys
CAS:19275-51-5HMDB
Citations