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CHEBI:42371 - (R,R)-5,11-diethyl-5,6,11,12-tetrahydro-2,8-chrysenediol

ChEBI IDCHEBI:42371
ChEBI Name(R,R)-5,11-diethyl-5,6,11,12-tetrahydro-2,8-chrysenediol
Stars
ASCII Name(R,R)-5,11-diethyl-5,6,11,12-tetrahydro-2,8-chrysenediol
DefinitionA carbotetracyclic compound that is 5,6,11,12-tetrahydrochrysene substituted by hydroxy groups at positions 2 and 8 and by ethyl groups at positions 5 and 11 (the 5R,11R-stereoisomer). It is an agonist of ER-α and antagonist of ER-β receptors.
Last Modified29 September 2021
DownloadsMolfile
FormulaC22H24O2
Net Charge0
Average Mass320.432
Monoisotopic Mass320.17763
SMILESCC[C@@H]1Cc2cc(O)ccc2C2=C1c1ccc(O)cc1C[C@H]2CC
InChIInChI=1S/C22H24O2/c1-3-13-9-15-11-17(23)6-8-20(15)22-14(4-2)10-16-12-18(24)5-7-19(16)21(13)22/h5-8,11-14,23-24H,3-4,9-10H2,1-2H3/t13-,14-/m1/s1
InChIKeyMASYAWHPJCQLSW-ZIAGYGMSSA-N
Wikipedia
Roles Classification
Biological Roles:
estrogen receptor antagonist  An antagonist at the estrogen receptor.
estrogen receptor agonist  An agonist at the estrogen receptor.
Applications:
estrogen receptor antagonist  An antagonist at the estrogen receptor.
geroprotector  Any compound that supports healthy aging, slows the biological aging process, or extends lifespan.
neuroprotective agent  Any compound that can be used for the treatment of neurodegenerative disorders.
ChEBI Ontology
Outgoing Relation(s)
(R,R)-5,11-diethyl-5,6,11,12-tetrahydro-2,8-chrysenediol (CHEBI:42371) has role estrogen receptor agonist (CHEBI:63951)
(R,R)-5,11-diethyl-5,6,11,12-tetrahydro-2,8-chrysenediol (CHEBI:42371) has role estrogen receptor antagonist (CHEBI:50792)
(R,R)-5,11-diethyl-5,6,11,12-tetrahydro-2,8-chrysenediol (CHEBI:42371) has role geroprotector (CHEBI:176497)
(R,R)-5,11-diethyl-5,6,11,12-tetrahydro-2,8-chrysenediol (CHEBI:42371) has role neuroprotective agent (CHEBI:63726)
(R,R)-5,11-diethyl-5,6,11,12-tetrahydro-2,8-chrysenediol (CHEBI:42371) is a carbotetracyclic compound (CHEBI:177332)
(R,R)-5,11-diethyl-5,6,11,12-tetrahydro-2,8-chrysenediol (CHEBI:42371) is a polyphenol (CHEBI:26195)
IUPAC Name 
(5R,11R)-5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol
Synonyms  Source
(R,R)-5,11-cis-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diolPDBeChem
(R,R)-cis-diethyltetrahydro-2,8-chrysenediolChemIDplus
R,R-THCChemIDplus
(R,R)-THCChEBI
(R,R)-cis-diethyl tetrahydro-2,8-chrysenediolChemIDplus
Manual XrefsDatabases
ETCPDBeChem
394097ChemSpider
(R,R)-TetrahydrochryseneWikipedia
Registry NumbersSources
CAS:221368-54-3ChemIDplus
Citations