3-HYDROXYGLABROL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H28O5
Molecular Weight	408.4868
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)=CCC1=CC(=CC=C1O)[C@H]2OC3=C(CC=C(C)C)C(O)=CC=C3C(=O)[C@@H]2O

InChI

InChIKey=LAQLCZKPJGMFRM-BJKOFHAPSA-N

InChI=1S/C25H28O5/c1-14(2)5-7-16-13-17(8-11-20(16)26)24-23(29)22(28)19-10-12-21(27)18(25(19)30-24)9-6-15(3)4/h5-6,8,10-13,23-24,26-27,29H,7,9H2,1-4H3/t23-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H28O5
Molecular Weight	408.4868
Charge	0
Count

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

Approval Year

PubMed

Title	Date	PubMed
Cytotoxic activity of low molecular weight polyphenols against human oral tumor cell lines.	2000 Jul-Aug	10953322

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:46:08 GMT 2023` Edited by `admin` on `Sat Dec 16 08:46:08 GMT 2023`
Record UNII	FTR3GY7U1I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-HYDROXYGLABROL

Common Name

English

4H-1-BENZOPYRAN-4-ONE, 2,3-DIHYDRO-3,7-DIHYDROXY-2-(4-HYDROXY-3-(3-METHYL-2-BUTEN-1-YL)PHENYL)-8-(3-METHYL-2-BUTEN-1-YL)-, (2R,3R)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

480854

Created by admin on Sat Dec 16 08:46:08 GMT 2023 , Edited by admin on Sat Dec 16 08:46:08 GMT 2023

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FDA UNII

FTR3GY7U1I

Created by admin on Sat Dec 16 08:46:08 GMT 2023 , Edited by admin on Sat Dec 16 08:46:08 GMT 2023

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CAS

74148-41-7

Created by admin on Sat Dec 16 08:46:08 GMT 2023 , Edited by admin on Sat Dec 16 08:46:08 GMT 2023

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EPA CompTox

DTXSID701316697

Created by admin on Sat Dec 16 08:46:08 GMT 2023 , Edited by admin on Sat Dec 16 08:46:08 GMT 2023

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Related Record Type Details


					2788Z9758H

GLYCYRRHIZA GLABRA

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

Minimum Inhibitory Concentration (MIC) for Staphylococcus aureus (ATCC 13709) = 6.25 mcg ml and Mycobacterium smegmatis (ATCC 6371) = 6.25 mcg ml. Extracts of G. glabra var. typica (Spanish licorice)-but not var. grandulifera (Russian licorice) were repeatedly active in the screen.