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CHEBI:66704 - 7-methoxydeoxymorellin

ChEBI IDCHEBI:66704
ChEBI Name7-methoxydeoxymorellin
Stars
DefinitionAn organic heterohexacyclic compound that is deoxymorellin substituted by a methoxy group at position 7. Isolated from Garcinia hanburyi, it exhibits cytotoxic activity.
Last Modified8 April 2013
DownloadsMolfile
FormulaC34H40O7
Net Charge0
Average Mass560.687
Monoisotopic Mass560.27740
SMILES[H][C@@]12C[C@@]3(OC)C=C4C(=O)c5c(O)c6c(c(CC=C(C)C)c5O[C@]41[C@@](CC=C(C)C)(OC2(C)C)C3=O)OC(C)(C)C=C6
InChIInChI=1S/C34H40O7/c1-18(2)10-11-21-27-20(13-14-30(5,6)39-27)25(35)24-26(36)22-16-32(38-9)17-23-31(7,8)41-33(29(32)37,15-12-19(3)4)34(22,23)40-28(21)24/h10,12-14,16,23,35H,11,15,17H2,1-9H3/t23-,32-,33-,34+/m0/s1
InChIKeyUSLTUZOWPRBQKK-CKBKNJJASA-N
Species of MetaboliteComponentSourceComments
Garcinia hanburyi (ncbitaxon:231906)
fruit (BTO:0000486) PubMed (17117343)
latex (BTO:0000710) PubMed (17117343) Previous component: resin;
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)
7-methoxydeoxymorellin (CHEBI:66704) has functional parent morellin (CHEBI:6995)
7-methoxydeoxymorellin (CHEBI:66704) has role antineoplastic agent (CHEBI:35610)
7-methoxydeoxymorellin (CHEBI:66704) has role metabolite (CHEBI:25212)
7-methoxydeoxymorellin (CHEBI:66704) is a cyclic ether (CHEBI:37407)
7-methoxydeoxymorellin (CHEBI:66704) is a cyclic ketone (CHEBI:3992)
7-methoxydeoxymorellin (CHEBI:66704) is a organic heterohexacyclic compound (CHEBI:51914)
7-methoxydeoxymorellin (CHEBI:66704) is a phenols (CHEBI:33853)
7-methoxydeoxymorellin (CHEBI:66704) is a polycyclic cage (CHEBI:33640)
IUPAC Name 
(1R,3aS,5R,14aS)-8-hydroxy-5-methoxy-3,3,11,11-tetramethyl-1,13-bis(3-methylbut-2-en-1-yl)-3,3a,4,5-tetrahydro-7H,11H-1,5-methanofuro[3,4-g]pyrano[3,2-b]xanthene-7,15-dione
Registry NumbersSources
Reaxys:11109912Reaxys
Citations