THREO-1-(4-HYDROXY-3-METHOXYPHENYL)-2-(4-(3-HYDROXYPROPYL)-2-METHOXYPHENOXY)-1,3-PROPANEDIOL

Details

Stereochemistry	RACEMIC
Molecular Formula	C20H26O7
Molecular Weight	378.4162
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of THREO-1-(4-HYDROXY-3-METHOXYPHENYL)-2-(4-(3-HYDROXYPROPYL)-2-METHOXYPHENOXY)-1,3-PROPANEDIOL

Structure Search

SMILES

COC1=CC(=CC=C1O)[C@@H](O)[C@@H](CO)OC2=CC=C(CCCO)C=C2OC

InChI

InChIKey=DBIKJXXBCAHHMC-WOJBJXKFSA-N

InChI=1S/C20H26O7/c1-25-17-11-14(6-7-15(17)23)20(24)19(12-22)27-16-8-5-13(4-3-9-21)10-18(16)26-2/h5-8,10-11,19-24H,3-4,9,12H2,1-2H3/t19-,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H26O7
Molecular Weight	378.4162
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:00:08 GMT 2023` Edited by `admin` on `Sat Dec 16 10:00:08 GMT 2023`
Record UNII	3X9Q9XA8J6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

THREO-1-(4-HYDROXY-3-METHOXYPHENYL)-2-(4-(3-HYDROXYPROPYL)-2-METHOXYPHENOXY)-1,3-PROPANEDIOL

Common Name

English

1,3-PROPANEDIOL, 1-(4-HYDROXY-3-METHOXYPHENYL)-2-(4-(3-HYDROXYPROPYL)-2-METHOXYPHENOXY)-, (R*,R*)-

Systematic Name

English

1,3-PROPANEDIOL, 1-(4-HYDROXY-3-METHOXYPHENYL)-2-(4-(3-HYDROXYPROPYL)-2-METHOXYPHENOXY)-, (1R,2R)-REL-

Systematic Name

English

THREO-GUAIACYLGLYCEROL-.BETA.-O-4'-DIHYDROCONIFERYL ALCOHOL

Common Name

English

Code System Code Type Description

FDA UNII

3X9Q9XA8J6

Created by admin on Sat Dec 16 10:00:08 GMT 2023 , Edited by admin on Sat Dec 16 10:00:08 GMT 2023

PRIMARY

PUBCHEM

13893598

Created by admin on Sat Dec 16 10:00:08 GMT 2023 , Edited by admin on Sat Dec 16 10:00:08 GMT 2023

PRIMARY

CAS

135820-78-9

Created by admin on Sat Dec 16 10:00:08 GMT 2023 , Edited by admin on Sat Dec 16 10:00:08 GMT 2023

PRIMARY

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Comments:

1,1-Diphenyl-2-picrylhydrazyl radical scavenging assay(DPPH) IC50 expressed as ug/mL = >40, In vitro hydroxyl radical scavenging assay(Hydroxy Radical) IC50 expressed as ug/mL = 3.5+/-0.23.

Amount: