CHEBI:66843 - oxypeucedanin hydrate acetonide

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ChEBI Name oxypeucedanin hydrate acetonide
ChEBI ID CHEBI:66843
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C19H20O6
Net Charge 0
Average Mass 344.35850
Monoisotopic Mass 344.12599
InChI InChI=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
InChIKey XIIINVJICGOJHC-UHFFFAOYSA-N
SMILES CC1(C)OC(COc2c3ccoc3cc3oc(=O)ccc23)C(C)(C)O1
Metabolite of Species Details
Peucedanum turcomanicum (IPNI:846497-1) See: KHIM PRIR SOEDIN, 1979, 6, 847
Angelica dahurica (NCBI:txid48101) Found in root (BTO:0001188). See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Citation Waiting for Citations Type Source
15646793 PubMed citation Europe PMC
Last Modified
19 April 2013
General Comment
2012-07-27 KHIM PRIR SOEDIN, 1979, 6, 847