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CHEBI:66397 - monodictyochromone B

ChEBI IDCHEBI:66397
ChEBI Namemonodictyochromone B
Stars
DefinitionA chromanone isolated from the marine derived fungus Monodictys putredinis and exhibits inhibitory activity against P450.
Last Modified21 August 2013
DownloadsMolfile
FormulaC30H30O11
Net Charge0
Average Mass566.559
Monoisotopic Mass566.17881
SMILES[H][C@@]1([C@@]2(C)CC(=O)c3c(ccc(-c4c(C)cc5c(c4O)C(=O)C[C@@](C)([C@]4([H])OC(=O)C[C@H]4O)O5)c3O)O2)OC(=O)C[C@@H]1C
InChIInChI=1S/C30H30O11/c1-12-7-19-24(17(33)11-30(4,41-19)28-15(31)9-21(35)39-28)26(37)22(12)14-5-6-18-23(25(14)36)16(32)10-29(3,40-18)27-13(2)8-20(34)38-27/h5-7,13,15,27-28,31,36-37H,8-11H2,1-4H3/t13-,15+,27+,28+,29+,30-/m0/s1
InChIKeyYSURVZRGQKOUAG-QXBVHLSASA-N
Species of MetaboliteComponentSourceComments
Monodictys putredinis (WORMS:100530) - PubMed (18939864)
Roles Classification
Biological Roles:
P450 inhibitor  An enzyme inhibitor that interferes with the activity of cytochrome P450 involved in catalysis of organic substances.
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)
monodictyochromone B (CHEBI:66397) has role antineoplastic agent (CHEBI:35610)
monodictyochromone B (CHEBI:66397) has role metabolite (CHEBI:25212)
monodictyochromone B (CHEBI:66397) has role P450 inhibitor (CHEBI:50183)
monodictyochromone B (CHEBI:66397) is a chromanone (CHEBI:38763)
monodictyochromone B (CHEBI:66397) is a secondary alcohol (CHEBI:35681)
monodictyochromone B (CHEBI:66397) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(2S,2'R)-5,5'-dihydroxy-2-[(2R,3R)-3-hydroxy-5-oxotetrahydrofuran-2-yl]-2,2',7-trimethyl-2'-[(2R,3S)-3-methyl-5-oxotetrahydrofuran-2-yl]-2,2',3,3'-tetrahydro-4H,4'H-6,6'-bichromene-4,4'-dione
Registry NumbersSources
Reaxys:19388413Reaxys
Citations