monodictysin C (CHEBI:66399)

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ChEBI Name	monodictysin C

ChEBI ID	CHEBI:66399

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C16H20O6

Net Charge

Average Mass

308.32640

Monoisotopic Mass

308.12599

InChI

InChI=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

InChIKey

PIJNYABFKNAKHE-YZKPXJPOSA-N

SMILES

[H][C@]12[C@@H](O)C[C@H](C)[C@H](O)[C@@]1(C)Oc1cc(OC)cc(O)c1C2=O

Metabolite of Species	Details
Monodictys putredinis (WORMS:100530)	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.

ChEBI Ontology
Outgoing	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 Number	Type	Source
11058829	Reaxys Registry Number	Reaxys

Citation	Type	Source
17291041	PubMed citation	Europe PMC

Last Modified

11 April 2013