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CHEBI:66399 - monodictysin C

ChEBI IDCHEBI:66399
ChEBI Namemonodictysin C
Stars
DefinitionA member of the class of xanthones that is 1,2,3,4,4a,9a-hexahydro-9H-xanthen-9-one substituted by hydroxy groups at positions 1, 4 and 8, methyl groups at positions 3 and 4a and a methoxy group at position 6 (the 1S,3S,4S,4aS,9aS stereoisomer). Isolated from the marine algicolous fungus Monodictys putredinis, it exhibits antineoplastic activity.
Last Modified11 April 2013
DownloadsMolfile
FormulaC16H20O6
Net Charge0
Average Mass308.330
Monoisotopic Mass308.12599
SMILES[H][C@@]12C(=O)c3c(O)cc(OC)cc3O[C@]1(C)[C@@H](O)[C@@H](C)C[C@@H]2O
InChIInChI=1S/C16H20O6/c1-7-4-10(18)13-14(19)12-9(17)5-8(21-3)6-11(12)22-16(13,2)15(7)20/h5-7,10,13,15,17-18,20H,4H2,1-3H3/t7-,10-,13+,15-,16-/m0/s1
InChIKeyPIJNYABFKNAKHE-YZKPXJPOSA-N
Species of MetaboliteComponentSourceComments
Monodictys putredinis (WORMS:100530) - PubMed (17291041)
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)
monodictysin C (CHEBI:66399) has role antineoplastic agent (CHEBI:35610)
monodictysin C (CHEBI:66399) has role metabolite (CHEBI:25212)
monodictysin C (CHEBI:66399) is a aromatic ether (CHEBI:35618)
monodictysin C (CHEBI:66399) is a phenols (CHEBI:33853)
monodictysin C (CHEBI:66399) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(1S,3S,4S,4aS,9aS)-1,4,8-trihydroxy-6-methoxy-3,4a-dimethyl-1,2,3,4,4a,9a-hexahydro-9H-xanthen-9-one
Registry NumbersSources
Reaxys:11058829Reaxys
Citations