EQUOL

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National Institutes of Health Divider Arrow

NCATS

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

Structure of EQUOL

Structure Search

SMILES

OC1=CC=C(C=C1)[C@H]2COC3=CC(O)=CC=C3C2

InChI

InChIKey=ADFCQWZHKCXPAJ-GFCCVEGCSA-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-/m1/s1

HIDE SMILES / InChI

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:19:57 UTC 2023` Edited by `admin` on `Fri Dec 15 17:19:57 UTC 2023`
Record UNII	2T6D2HPX7Q
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

EQUOL

Official Name

English

EQUOL [MI]

Common Name

English

2H-1-BENZOPYRAN-7-OL, 3,4-DIHYDRO-3-(4-HYDROXYPHENYL)-, (3S)-

Systematic Name

English

(3S)-3,4-DIHYDRO-3-(4-HYDROXYPHENYL)-2H-1-BENZOPYRAN-7-OL

Systematic Name

English

EQUOL [INCI]

Common Name

English

S-EQUOL

Common Name

English

EQUOL (S)-FORM

Common Name

English

EQUOL, (S)-

Common Name

English

EQUOL, (-)-

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C2182

Created by admin on Fri Dec 15 17:19:57 UTC 2023 , Edited by admin on Fri Dec 15 17:19:57 UTC 2023

Code System Code Type Description

EPA CompTox

DTXSID0022309

Created by admin on Fri Dec 15 17:19:57 UTC 2023 , Edited by admin on Fri Dec 15 17:19:57 UTC 2023

PRIMARY

FDA UNII

2T6D2HPX7Q

Created by admin on Fri Dec 15 17:19:57 UTC 2023 , Edited by admin on Fri Dec 15 17:19:57 UTC 2023

PRIMARY

DAILYMED

2T6D2HPX7Q

Created by admin on Fri Dec 15 17:19:57 UTC 2023 , Edited by admin on Fri Dec 15 17:19:57 UTC 2023

PRIMARY

SMS_ID

300000025997

Created by admin on Fri Dec 15 17:19:57 UTC 2023 , Edited by admin on Fri Dec 15 17:19:57 UTC 2023

PRIMARY

CAS

531-95-3

Created by admin on Fri Dec 15 17:19:57 UTC 2023 , Edited by admin on Fri Dec 15 17:19:57 UTC 2023

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RXCUI

1803717

Created by admin on Fri Dec 15 17:19:57 UTC 2023 , Edited by admin on Fri Dec 15 17:19:57 UTC 2023

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MERCK INDEX

m4971

Created by admin on Fri Dec 15 17:19:57 UTC 2023 , Edited by admin on Fri Dec 15 17:19:57 UTC 2023

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Merck Index

ChEMBL

CHEMBL198877

Created by admin on Fri Dec 15 17:19:57 UTC 2023 , Edited by admin on Fri Dec 15 17:19:57 UTC 2023

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DRUG BANK

DB11674

Created by admin on Fri Dec 15 17:19:57 UTC 2023 , Edited by admin on Fri Dec 15 17:19:57 UTC 2023

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NCI_THESAURUS

C120313

Created by admin on Fri Dec 15 17:19:57 UTC 2023 , Edited by admin on Fri Dec 15 17:19:57 UTC 2023

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WIKIPEDIA

Equol

Created by admin on Fri Dec 15 17:19:57 UTC 2023 , Edited by admin on Fri Dec 15 17:19:57 UTC 2023

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PUBCHEM

91469

Created by admin on Fri Dec 15 17:19:57 UTC 2023 , Edited by admin on Fri Dec 15 17:19:57 UTC 2023

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ECHA (EC/EINECS)

208-522-2

Created by admin on Fri Dec 15 17:19:57 UTC 2023 , Edited by admin on Fri Dec 15 17:19:57 UTC 2023

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