CHEBI:66808 - ochrocarpinone A

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ChEBI Name ochrocarpinone A
ChEBI ID CHEBI:66808
Definition A β-diketone isolated from Ochrocarpos punctatus and has been shown to exhibit antineoplastic activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C33H42O6
Net Charge 0
Average Mass 534.68300
Monoisotopic Mass 534.29814
InChI InChI=1S/C33H42O6/c1-20(2)14-15-23-19-32(17-16-21(3)4)28-24(18-25(39-37)31(7,8)38-28)27(35)33(29(32)36,30(23,5)6)26(34)22-12-10-9-11-13-22/h9-14,16,23,25,37H,15,17-19H2,1-8H3
InChIKey LCJOSIBQVUSWIH-UHFFFAOYSA-N
SMILES CC(C)=CCC1CC2(CC=C(C)C)C(=O)C(C(=O)c3ccccc3)(C(=O)C3=C2OC(C)(C)C(C3)OO)C1(C)C
Metabolite of Species Details
Ochrocarpos punctatus (IPNI:428950-1) Found in bark (BTO:0001301). 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 ochrocarpinone A (CHEBI:66808) has role antineoplastic agent (CHEBI:35610)
ochrocarpinone A (CHEBI:66808) has role metabolite (CHEBI:25212)
ochrocarpinone A (CHEBI:66808) is a β-diketone (CHEBI:67265)
ochrocarpinone A (CHEBI:66808) is a β-triketone (CHEBI:140323)
ochrocarpinone A (CHEBI:66808) is a aromatic ketone (CHEBI:76224)
ochrocarpinone A (CHEBI:66808) is a bridged compound (CHEBI:35990)
ochrocarpinone A (CHEBI:66808) is a cyclic ether (CHEBI:37407)
ochrocarpinone A (CHEBI:66808) is a cyclic ketone (CHEBI:3992)
ochrocarpinone A (CHEBI:66808) is a enone (CHEBI:51689)
ochrocarpinone A (CHEBI:66808) is a organic heterotricyclic compound (CHEBI:26979)
ochrocarpinone A (CHEBI:66808) is a peroxol (CHEBI:35924)
IUPAC Name
6-benzoyl-3-hydroperoxy-2,2,7,7-tetramethyl-8,10-bis(3-methylbut-2-en-1-yl)-2,3,4,6,7,8,9,10-octahydro-5H-6,10-methanocycloocta[b]pyran-5,11-dione
Synonym Source
17,18-dihydro-18-hydroperoxyplukenetione G ChEBI
Registry Number Type Source
9307419 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
12141854 PubMed citation Europe PMC
Last Modified
04 March 2018