FARGESIN

Details

Stereochemistry	RACEMIC
Molecular Formula	C21H22O6
Molecular Weight	370.3958
Optical Activity	( + / - )
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CO[C@@H](C3=CC=C(OC)C(OC)=C3)[C@@]1([H])CO[C@@H]2C4=CC=C5OCOC5=C4

InChI

InChIKey=AWOGQCSIVCQXBT-LATRNWQMSA-N

InChI=1S/C21H22O6/c1-22-16-5-3-12(7-18(16)23-2)20-14-9-25-21(15(14)10-24-20)13-4-6-17-19(8-13)27-11-26-17/h3-8,14-15,20-21H,9-11H2,1-2H3/t14-,15-,20-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H22O6
Molecular Weight	370.3958
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Potency
Beta-1 adrenergic receptor 158 Target ID: CHEMBL213 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26025856	Antagonist 2778
Peroxisome proliferator-activated receptor alpha 62 Target ID: CHEMBL239 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22381047	Agonist 2678	53200.0 nM [EC50]
Peroxisome proliferator-activated receptor gamma 111 Target ID: CHEMBL235 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22381047	Agonist 2678	22600.0 nM [EC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:46:31 UTC 2023` Edited by `admin` on `Sat Dec 16 09:46:31 UTC 2023`
Record UNII	GR9853GI71
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FARGESIN

Common Name

English

1H,3H-FURO(3,4-C)FURAN, 1.ALPHA.-(3,4-DIMETHOXYPHENYL)-3A.BETA.,4,6,6A.BETA.-TETRAHYDRO-4.BETA.-((3,4-METHYLENEDIOXY)PHENYL)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

10926754

Created by admin on Sat Dec 16 09:46:31 UTC 2023 , Edited by admin on Sat Dec 16 09:46:31 UTC 2023

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CAS

31008-19-2

Created by admin on Sat Dec 16 09:46:31 UTC 2023 , Edited by admin on Sat Dec 16 09:46:31 UTC 2023

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EPA CompTox

DTXSID901317922

Created by admin on Sat Dec 16 09:46:31 UTC 2023 , Edited by admin on Sat Dec 16 09:46:31 UTC 2023

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FDA UNII

GR9853GI71

Created by admin on Sat Dec 16 09:46:31 UTC 2023 , Edited by admin on Sat Dec 16 09:46:31 UTC 2023

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