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CHEBI:66696 - metachromin T

ChEBI IDCHEBI:66696
ChEBI Namemetachromin T
Stars
DefinitionA sesquiterpenoid that is 6,8-dimethoxy-2,2-dimethyl-2H-chromen-5-ol in which the hydrogen of one of the methyl groups at position 2 is replaced by a [(1R,2S)-1,2,3-trimethylcyclohex-3-en-1-yl]methyl group. It is isolated from an Okinawan sponge Spongia sp.SS-1037 and shows moderate cytotoxicity against L1210 murine leukemia and KB human epidermoid carcinoma cells.
Last Modified22 October 2012
DownloadsMolfile
FormulaC23H32O4
Net Charge0
Average Mass372.505
Monoisotopic Mass372.23006
SMILESCOc1cc(OC)c2c(c1O)C=C[C@](C)(CC[C@@]1(C)CCC=C(C)[C@H]1C)O2
InChIInChI=1S/C23H32O4/c1-15-8-7-10-22(3,16(15)2)12-13-23(4)11-9-17-20(24)18(25-5)14-19(26-6)21(17)27-23/h8-9,11,14,16,24H,7,10,12-13H2,1-6H3/t16-,22-,23-/m1/s1
InChIKeyKDDVGLFIPJEMAU-ZGNKEGEESA-N
Species of MetaboliteComponentSourceComments
Spongia (ncbitaxon:121489) - PubMed (18057748) Strain: SS 1037
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)
metachromin T (CHEBI:66696) has role antineoplastic agent (CHEBI:35610)
metachromin T (CHEBI:66696) has role metabolite (CHEBI:25212)
metachromin T (CHEBI:66696) is a aromatic ether (CHEBI:35618)
metachromin T (CHEBI:66696) is a chromenes (CHEBI:23232)
metachromin T (CHEBI:66696) is a phenols (CHEBI:33853)
metachromin T (CHEBI:66696) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(2SS)-6,8-dimethoxy-2-methyl-2-{2-[(1R,2S)-1,2,3-trimethylcyclohex-3-en-1-yl]ethyl}-2H-chromen-5-ol
Manual XrefsDatabases
23076806ChemSpider
Registry NumbersSources
Reaxys:18556300Reaxys
Citations