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CHEBI:65674 - cratoxyarborenone D

ChEBI IDCHEBI:65674
ChEBI Namecratoxyarborenone D
Stars
DefinitionAn organic heterotetracyclic compound that is 2,3-dihydro-5H-furo[3,2-b]xanthen-5-one substituted by hydroxy groups at positions 4, 7, 8 and 9, an isoprenyl group at position 6 and a prop-1-en-2-yl group at position 2. It is isolated from Cratoxylum Sumatranum and exhibits cytotoxicity towards the KB (human oral epidermoid) cancer cell line.
Last Modified17 February 2015
DownloadsMolfile
FormulaC23H22O7
Net Charge0
Average Mass410.422
Monoisotopic Mass410.13655
SMILESC=C(C)C1Cc2c(cc3oc4c(O)c(O)c(O)c(CC=C(C)C)c4c(=O)c3c2O)O1
InChIInChI=1S/C23H22O7/c1-9(2)5-6-11-16-20(26)17-15(30-23(16)22(28)21(27)19(11)25)8-14-12(18(17)24)7-13(29-14)10(3)4/h5,8,13,24-25,27-28H,3,6-7H2,1-2,4H3
InChIKeyPIPKOMCOCGAXLZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cratoxylum Sumatranum (IPNI:433074-1)
leaf (BTO:0000713) PubMed (11908969)
stem (BTO:0001300) PubMed (11908969) Previous component: stem bark;
twig (BTO:0001411) PubMed (11908969)
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.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
cratoxyarborenone D (CHEBI:65674) has role antineoplastic agent (CHEBI:35610)
cratoxyarborenone D (CHEBI:65674) has role metabolite (CHEBI:25212)
cratoxyarborenone D (CHEBI:65674) is a cyclic ether (CHEBI:37407)
cratoxyarborenone D (CHEBI:65674) is a cyclic ketone (CHEBI:3992)
cratoxyarborenone D (CHEBI:65674) is a organic heterotetracyclic compound (CHEBI:38163)
cratoxyarborenone D (CHEBI:65674) is a polyphenol (CHEBI:26195)
IUPAC Name 
4,7,8,9-tetrahydroxy-6-(3-methylbut-2-en-1-yl)-2-(prop-1-en-2-yl)-2,3-dihydro-5H-furo[3,2-b]xanthen-5-one
Synonym  Source
2,3-dihydro-1,5,6,7-tetrahydroxy-3-(1-methyethenyl)-8-prenylfuro[2,3-b]xanthoneChEBI
Registry NumbersSources
Reaxys:9098517Reaxys
Citations