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CHEBI:66843 - oxypeucedanin hydrate acetonide

ChEBI IDCHEBI:66843
ChEBI Nameoxypeucedanin hydrate acetonide
Stars
DefinitionA furanocoumarin that is 7H-furo[3,2-g]chromen-7-one substituted by a (2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)methoxy moiety at position 4. Isolated from Peucedanum turcomanicum and Angelica dahurica, it exhibits cytotoxic activity.
Last Modified19 April 2013
DownloadsMolfile
FormulaC19H20O6
Net Charge0
Average Mass344.363
Monoisotopic Mass344.12599
SMILESCC1(C)OC(COc2c3ccoc3cc3oc(=O)ccc23)C(C)(C)O1
InChIInChI=1S/C19H20O6/c1-18(2)15(24-19(3,4)25-18)10-22-17-11-5-6-16(20)23-14(11)9-13-12(17)7-8-21-13/h5-9,15H,10H2,1-4H3
InChIKeyXIIINVJICGOJHC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Angelica dahurica (ncbitaxon:48101) root (BTO:0001188) PubMed (15646793)
Peucedanum turcomanicum (IPNI:846497-1) - Article (KHIM PRIR SOEDIN, 1979, 6, 847)
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)
oxypeucedanin hydrate acetonide (CHEBI:66843) has role antineoplastic agent (CHEBI:35610)
oxypeucedanin hydrate acetonide (CHEBI:66843) has role metabolite (CHEBI:25212)
oxypeucedanin hydrate acetonide (CHEBI:66843) is a aromatic ether (CHEBI:35618)
oxypeucedanin hydrate acetonide (CHEBI:66843) is a dioxolane (CHEBI:39430)
oxypeucedanin hydrate acetonide (CHEBI:66843) is a furanocoumarin (CHEBI:24128)
IUPAC Name 
4-[(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)methoxy]-7H-furo[3,2-g]chromen-7-one
Citations