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Home Product Catalog Chemicals (R)-3-(4-Hydroxyphenyl)chroman-7-ol

(R)-3-(4-Hydroxyphenyl)chroman-7-ol

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Chemical structure of 221054-79-1
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Product Information

Product Name

(R)-3-(4-Hydroxyphenyl)chroman-7-ol

CAS No.

221054-79-1

Synonym

STK801893 | CS-8182 | R-Equol | AKOS004120071 | BBL026747 | DTXSID101318590 | EQUOL (R)-FORM [MI] | EX-A1353 | MFCD09025608 | (3R)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol | 2V8RAP1HXA | (3R)-3-(4-HYDROXYPHENYL)-3,4-DIHYDRO-2H-1-BENZOPYRAN-7-OL | I

IUPAC Name

(R)-3-(4-hydroxyphenyl)chroman-7-ol

MDL No.

-

Molecular Formula

C15H14O3

Molecular Weight

242.27

SMILES

OC1=CC2=C(C=C1)C[C@H](C3=CC=C(O)C=C3)***

Canonical SMILES

OC1C=CC2C[C@@H](COC=2C=1)C1C=CC(O)=C***

InChI

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

Useage

(R)-Equol is used as an agonist of estrogen receptors ERα and ERβ; it exhibits inhibitory effects on the invasive capacity of MDA-MB-231 breast cancer cells; it down-regulates matrix metalloproteinase-2 (MMP-2) expression; it reduces tumor number, tumor weight, and tumor incidence in vivo; and it significantly increases tumor latency in animal models.

InChI Key

ADFCQWZHKCXPAJ-LBPRGKRZSA-N

PubChem CID

6950272

Safety Data

Pictogram

Signal Word

Warning

Hazard Statement(s)

H302-
H312-
H332-

Precautionary Statement(s)

P261-
P264-
P270-
P271-
P280-
P301+P312-
P302+P352-
P304+P340-
P330-
P501-

Synthetic Route by XMolGen

1.  221054-79-1  Molecular Building Block Synthetic Route

ACIGXP519
221054-79-1
Source: XMolGen Author: AiFChem
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