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

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ChEBI Name	(R,R)-5,11-diethyl-5,6,11,12-tetrahydro-2,8-chrysenediol

ChEBI ID	CHEBI:42371

ChEBI ASCII Name	(R,R)-5,11-diethyl-5,6,11,12-tetrahydro-2,8-chrysenediol

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C22H24O2

Net Charge

Average Mass

320.432

Monoisotopic Mass

320.17763

InChI

InChI=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

InChIKey

MASYAWHPJCQLSW-ZIAGYGMSSA-N

SMILES

CC[C@@H]1CC2=C(C=CC(O)=C2)C2=C1C1=C(C[C@H]2CC)C=C(O)C=C1

Roles Classification
Biological Role(s):	estrogen receptor antagonist An antagonist at the estrogen receptor. estrogen receptor agonist An agonist at the estrogen receptor.

Application(s):	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	(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	Sources
(R,R)-5,11-cis-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol	PDBeChem
(R,R)-cis-diethyl tetrahydro-2,8-chrysenediol	ChemIDplus
(R,R)-cis-diethyltetrahydro-2,8-chrysenediol	ChemIDplus
(R,R)-THC	ChEBI
R,R-THC	ChemIDplus

Registry Number	Type	Source
221368-54-3	CAS Registry Number	ChemIDplus

Last Modified

29 September 2021