Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C15H14O3 |
Molecular Weight | 242.2699 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC1=CC=C(C=C1)[C@@H]2COC3=C(C2)C=CC(O)=C3
InChI
InChIKey=ADFCQWZHKCXPAJ-LBPRGKRZSA-N
InChI=1S/C15H14O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-6,8,12,16-17H,7,9H2/t12-/m0/s1
Molecular Formula | C15H14O3 |
Molecular Weight | 242.2699 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
(R)-Equol is a non-steroidal estrogen produced from the metabolism of the isoflavonoid phytoestrogen daidzein. R-(+)equol binds dihydrotestosterone and inhibit the in vivo stimulatory effect of this potent androgen on prostate growth. R-(+)equol was found in the model of the growth of mammary tumors induced by the chemical carcinogen dimethylbenz[a]anthracene to be a potently chemopreventive. R-(+)-equol can induce apoptosis of human hepatocellular carcinoma SMMC-7721 cells through the intrinsic pathway and the endoplasmic reticulum stress pathway.
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL3751 Sources: https://www.ncbi.nlm.nih.gov/pubmed/28587197 |
15.4 nM [Ki] | ||
Target ID: CHEMBL3429 Sources: https://www.ncbi.nlm.nih.gov/pubmed/28587197 |
27.4 nM [Ki] | ||
Target ID: WP254 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24487643 |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
Primary | Unknown Approved UseUnknown |
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Preventing | Unknown Approved UseUnknown |
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Primary | Unknown Approved UseUnknown |
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Preventing | Unknown Approved UseUnknown |
Sample Use Guides
In Vivo Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/20110282
Rat: 250 mg/kg
Route of Administration:
Oral
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/26441850
Midbrain neurons were pre-treated with either EQUOL, (+)- (33 or 50 nM) for 24 h prior to 50 nM HIV-1 Tat. There was a significant main effect of treatment F(1,22) = 9.4, p ≤ 0.001, with 50 nM HIV-1 Tat producing a significant reduction in F-actin puncta (p ≤ 0.001). Pretreatment with 50 nM EQUOL, (+)- (p ≤ 0.01), but not 33 nM EQUOL, (+)-, prevented significant loss of F-actin puncta following 50 nM HIV-1 Tat.
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 00:49:34 UTC 2023
by
admin
on
Sat Dec 16 00:49:34 UTC 2023
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Record UNII |
2V8RAP1HXA
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Record Status |
Validated (UNII)
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Record Version |
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-
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m4971
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2V8RAP1HXA
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1648566
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221054-79-1
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2V8RAP1HXA
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