(3aS,4R,9bR)-1,2,3,3a,4,9b-Hexahydro-4-(4-hydroxyphenyl)cyclopenta[c][1]benzopyran-8-ol
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![(3aS,4R,9bR)-1,2,3,3a,4,9b-Hexahydro-4-(4-hydroxyphenyl)cyclopenta[c][1]benzopyran-8-ol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/489a15365b9b471d90ae104c76c35a3e.png "(3aS,4R,9bR)-1,2,3,3a,4,9b-Hexahydro-4-(4-hydroxyphenyl)cyclopenta[c][1]benzopyran-8-ol")
(3aS,4R,9bR)-1,2,3,3a,4,9b-Hexahydro-4-(4-hydroxyphenyl)cyclopenta[c][1]benzopyran-8-ol
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CAS No:
533884-09-2
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Formula:
C18H18O3
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Chemical Name:
(3aS,4R,9bR)-1,2,3,3a,4,9b-Hexahydro-4-(4-hydroxyphenyl)cyclopenta[c][1]benzopyran-8-ol
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Synonyms:
Cyclopenta[c][1]benzopyran-8-ol,1,2,3,3a,4,9b-hexahydro-4-(4-hydroxyphenyl)-,(3aS,4R,9bR)-;(3aS,4R,9bR)-1,2,3,3a,4,9b-Hexahydro-4-(4-hydroxyphenyl)cyclopenta[c][1]benzopyran-8-ol;LY 500307;Erteberel
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CAS No:
Description
Erteberel (LY500307) is a potent and selective estrogen receptor beta (ERβ) inhibitor with Ki and EC50 of 1.54 nM and 3.61 nM, respectively[1]. Anti-tumor activities[2].
Erteberel is an estrogen receptor beta agonist that has been used in trials studying the treatment of Benign Prostatic Hyperplasia.
(3aS,4R,9bR)-1,2,3,3a,4,9b-Hexahydro-4-(4-hydroxyphenyl)cyclopenta[c][1]benzopyran-8-ol Basic Attributes
282.339
282.33
2ZUL6758TZ
DTXSID70201547
Computed Properties
Molecular Weight:282.3
XLogP3:4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:282.125594432
Monoisotopic Mass:282.125594432
Topological Polar Surface Area:49.7
Heavy Atom Count:21
Complexity:364
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(3aS,4R,9bR)-1,2,3,3a,4,9b-Hexahydro-4-(4-hydroxyphenyl)cyclopenta[c][1]benzopyran-8-ol
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