CHEBI:66696 - metachromin T

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ChEBI Name metachromin T
ChEBI ID CHEBI:66696
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C23H32O4
Net Charge 0
Average Mass 372.49780
Monoisotopic Mass 372.23006
InChI InChI=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
InChIKey KDDVGLFIPJEMAU-ZGNKEGEESA-N
SMILES COc1cc(OC)c2O[C@@](C)(CC[C@@]3(C)CCC=C(C)[C@H]3C)C=Cc2c1O
Metabolite of Species Details
Spongia (NCBI:txid121489) of strain SS 1037 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
23076806 ChemSpider
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Registry Number Type Source
18556300 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
18057748 PubMed citation Europe PMC
Last Modified
22 October 2012