CHEBI:231600 - erteberel

ChEBI IDCHEBI:231600
ChEBI Nameerteberel
Stars
DefinitionAn organic heterotricyclic compound that is 1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromene substituted by 4-hydroxyphenyl and hydroxy groups at positions 4 and 8, respectively (the 3aS,4R,9bR-stereoisomer). It is an estrogen receptor β agonist and exhibits antineoplastic activity.
Last Modified19 August 2024
Submitterruixy
DownloadsMolfile
FormulaC18H18O3
Net Charge0
Average Mass282.339
Monoisotopic Mass282.12559
SMILES[H][C@]12CCC[C@@]1([H])c1cc(O)ccc1O[C@@]2([H])c1ccc(O)cc1
InChIInChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m1/s1
InChIKeyXIESSJVMWNJCGZ-VKJFTORMSA-N
Wikipedia
Roles Classification
Biological Roles:
estrogen receptor agonist  An agonist at the estrogen receptor.
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
erteberel (CHEBI:231600) has role antineoplastic agent (CHEBI:35610)
erteberel (CHEBI:231600) has role apoptosis inducer (CHEBI:68495)
erteberel (CHEBI:231600) has role estrogen receptor agonist (CHEBI:63951)
erteberel (CHEBI:231600) is a diol (CHEBI:23824)
erteberel (CHEBI:231600) is a organic heterotricyclic compound (CHEBI:26979)
erteberel (CHEBI:231600) is a phenols (CHEBI:33853)
IUPAC Name 
(3aS,4R,9bR)-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
INNs  Source
ertébérelWHO MedNet
erteberelWHO MedNet
erteberelumWHO MedNet
erteberelWHO MedNet
Synonyms  Source
LY 500307DrugBank
SERBA-1DrugBank
LY-500307DrugBank
LY500307DrugBank
(3aS,4R,9bR)-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrobenzo[b]cyclopenta[d]pyran-8-olIUPAC
(3aS,4R,9bR)-1,2,3,3a,4,9b-hexahydro-4-(4-hydroxyphenyl)cyclopenta[c][1]benzopyran-8-olChEBI
Manual XrefsDatabases
DB07933DrugBank
D09899KEGG DRUG
I0GPDBeChem
ErteberelWikipedia
Registry NumbersSources
CAS:533884-09-2KEGG DRUG
Citations