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CHEBI:231663 - SH-1242

Default Structure
ChEBI IDCHEBI:231663
ChEBI NameSH-1242
Stars
DefinitionA chromene that is 2,2-dimethyl-2H-chromene substituted by methoxy and (3,4-dimethoxyphenyl)acetyl groups at positions 5 and 6, respectively. It is a Hsp90 inhibitor that exhibits antineoplastic activity.
Last Modified10 September 2024
Submitteramillett1
DownloadsMolfile
FormulaC22H24O5
Net Charge0
Average Mass368.429
Monoisotopic Mass368.16237
SMILESCOc1ccc(CC(=O)c2ccc3c(c2OC)C=CC(C)(C)O3)cc1OC
InChIInChI=1S/C22H24O5/c1-22(2)11-10-16-18(27-22)9-7-15(21(16)26-5)17(23)12-14-6-8-19(24-3)20(13-14)25-4/h6-11,13H,12H2,1-5H3
InChIKeyTZRPLTHVBYHDBJ-UHFFFAOYSA-N
Roles Classification
Biological Roles:
Hsp90 inhibitor  An EC 3.6.4.10 (non-chaperonin molecular chaperone ATPase) inhibitor that blocks the action of heat shock protein 90.
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Applications:
angiogenesis inhibitor  An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
SH-1242 (CHEBI:231663) has role angiogenesis inhibitor (CHEBI:48422)
SH-1242 (CHEBI:231663) has role antineoplastic agent (CHEBI:35610)
SH-1242 (CHEBI:231663) has role apoptosis inducer (CHEBI:68495)
SH-1242 (CHEBI:231663) has role Hsp90 inhibitor (CHEBI:63962)
SH-1242 (CHEBI:231663) is a aromatic ether (CHEBI:35618)
SH-1242 (CHEBI:231663) is a aromatic ketone (CHEBI:76224)
SH-1242 (CHEBI:231663) is a chromenes (CHEBI:23232)
SH-1242 (CHEBI:231663) is a dimethoxybenzene (CHEBI:51681)
IUPAC Name 
2-(3,4-dimethoxyphenyl)-1-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl)ethanone
Synonyms  Source
2-(3,4-dimethoxyphenyl)-1-(5-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethan-1-oneIUPAC
SH 1242ChEBI
SH1242ChEBI
Citations