monodictysin B (CHEBI:66398)

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ChEBI Name	monodictysin B

ChEBI ID	CHEBI:66398

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 and methyl groups at positions 3 and 4a (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

C15H18O5

Net Charge

Average Mass

278.30040

Monoisotopic Mass

278.11542

InChI

InChI=1S/C15H18O5/c1-7-6-9(17)12-13(18)11-8(16)4-3-5-10(11)20-15(12,2)14(7)19/h3-5,7,9,12,14,16-17,19H,6H2,1-2H3/t7-,9-,12+,14-,15-/m0/s1

InChIKey

NFHLHXVIHBGFKO-XHOOZROUSA-N

SMILES

[H][C@]12[C@@H](O)C[C@H](C)[C@H](O)[C@@]1(C)Oc1cccc(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 B (CHEBI:66398) has role antineoplastic agent (CHEBI:35610) monodictysin B (CHEBI:66398) has role metabolite (CHEBI:25212) monodictysin B (CHEBI:66398) is a phenols (CHEBI:33853) monodictysin B (CHEBI:66398) is a secondary alcohol (CHEBI:35681) monodictysin B (CHEBI:66398) is a xanthones (CHEBI:51149)

IUPAC Name

(1S,3S,4S,4aS,9aS)-1,4,8-trihydroxy-3,4a-dimethyl-1,2,3,4,4a,9a-hexahydro-9H-xanthen-9-one

Registry Number	Type	Source
11058828	Reaxys Registry Number	Reaxys

Citation	Type	Source
17291041	PubMed citation	Europe PMC

Last Modified

11 April 2013