CHEBI:66809 - ochrocarpinone B

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ChEBI Name ochrocarpinone B
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
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Formula C33H42O5
Net Charge 0
Average Mass 518.68360
Monoisotopic Mass 518.30322
InChI InChI=1S/C33H42O5/c1-20(2)14-15-23-19-32(17-16-21(3)4)27(35)24-18-25(31(7,8)37)38-28(24)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
SMILES CC(C)=CCC1CC2(CC=C(C)C)C(=O)C3=C(OC(C3)C(C)(C)O)C(C(=O)c3ccccc3)(C2=O)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 B (CHEBI:66809) has role antineoplastic agent (CHEBI:35610)
ochrocarpinone B (CHEBI:66809) has role metabolite (CHEBI:25212)
ochrocarpinone B (CHEBI:66809) is a β-diketone (CHEBI:67265)
ochrocarpinone B (CHEBI:66809) is a aromatic ketone (CHEBI:76224)
ochrocarpinone B (CHEBI:66809) is a bridged compound (CHEBI:35990)
ochrocarpinone B (CHEBI:66809) is a cyclic ether (CHEBI:37407)
ochrocarpinone B (CHEBI:66809) is a cyclic ketone (CHEBI:3992)
ochrocarpinone B (CHEBI:66809) is a enone (CHEBI:51689)
ochrocarpinone B (CHEBI:66809) is a organic heterotricyclic compound (CHEBI:26979)
ochrocarpinone B (CHEBI:66809) is a tertiary alcohol (CHEBI:26878)
Registry Number Type Source
9308016 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
12141854 PubMed citation Europe PMC
Last Modified
07 November 2013