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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:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
angiogenesis inhibitor  An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
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