CHEBI:66337 - xylocarpin J

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name xylocarpin J
ChEBI ID CHEBI:66337
Definition A limonoid isolated from Xylocarpus granatum 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 C32H42O9
Net Charge 0
Average Mass 570.67050
Monoisotopic Mass 570.28288
InChI InChI=1S/C32H42O9/c1-8-17(2)27(35)40-26-19-15-31-20(30(6,32(19,36)41-31)21(28(26,3)4)13-23(33)37-7)9-11-29(5)22(31)14-24(34)39-25(29)18-10-12-38-16-18/h8,10,12,16,19-22,25-26,36H,9,11,13-15H2,1-7H3/b17-8+/t19?,20-,21+,22-,25+,26+,29-,30-,31-,32+/m1/s1
InChIKey MCBIVWOLAJXDRK-JFEOFFBYSA-N
SMILES [H][C@]12CC[C@@]3(C)[C@@H](OC(=O)C[C@@]3([H])[C@@]11CC3[C@H](OC(=O)C(\C)=C\C)C(C)(C)[C@H](CC(=O)OC)[C@]2(C)[C@@]3(O)O1)c1ccoc1
Metabolite of Species Details
Xylocarpus granatum (NCBI:txid241841) Found in rind (BTO:0001184). Dried fruit rinds See: DOI
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 xylocarpin J (CHEBI:66337) has role antineoplastic agent (CHEBI:35610)
xylocarpin J (CHEBI:66337) has role metabolite (CHEBI:25212)
xylocarpin J (CHEBI:66337) is a δ-lactone (CHEBI:18946)
xylocarpin J (CHEBI:66337) is a bridged compound (CHEBI:35990)
xylocarpin J (CHEBI:66337) is a enoate ester (CHEBI:51702)
xylocarpin J (CHEBI:66337) is a furans (CHEBI:24129)
xylocarpin J (CHEBI:66337) is a limonoid (CHEBI:39434)
xylocarpin J (CHEBI:66337) is a methyl ester (CHEBI:25248)
xylocarpin J (CHEBI:66337) is a organic heteropentacyclic compound (CHEBI:38164)
IUPAC Name
(4R,4aR,6aR,6bS,7S,9S,10aS,11aS,11bR)-4-(furan-3-yl)-10a-hydroxy-7-(2-methoxy-2-oxoethyl)-4a,6b,8,8-tetramethyl-2-oxododecahydro-2H,4H-10,11a-methano[1]benzofuro[2,3-f]isochromen-9-yl (2E)-2-methylbut-2-enoate
Registry Number Type Source
19095376 Reaxys Registry Number Reaxys
Last Modified
31 March 2015
General Comment
2013-07-15 Helv. Chim. Acta, 29, 139.