CHEBI:66704 - 7-methoxydeoxymorellin

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ChEBI Name 7-methoxydeoxymorellin
ChEBI ID CHEBI:66704
Definition An organic heterohexacyclic compound that is deoxymorellin substituted by a methoxy group at position 7. Isolated from Garcinia hanburyi, it exhibits cytotoxic activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB5855401, ZINC000005854633
Download Molfile XML SDF
Formula C34H40O7
Net Charge 0
Average Mass 560.67720
Monoisotopic Mass 560.27740
InChI InChI=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
InChIKey USLTUZOWPRBQKK-CKBKNJJASA-N
SMILES [H][C@@]12C[C@@]3(OC)C=C4C(=O)c5c(O)c6C=CC(C)(C)Oc6c(CC=C(C)C)c5O[C@@]14[C@@](CC=C(C)C)(OC2(C)C)C3=O
Metabolite of Species Details
Garcinia hanburyi (NCBI:txid231906) Found in fruit (BTO:0000486). See: PubMed
Garcinia hanburyi (NCBI:txid231906) Found in latex (BTO:0000710). Previous component: resin; 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 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 Number Type Source
11109912 Reaxys Registry Number Reaxys
Citation
Fu M, Qiu SX, Xu Y, Wu J, Chen Y, Yu Y, Xiao G (2013)
A new xanthone from the pericarp of Garcinia mangostana.
Natural product communications 8, 1733-1734 [PubMed:24555285]
[show Abstract]
Last Modified
08 April 2013