HISPAGLABRIDIN B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H26O4
Molecular Weight	390.4715
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1(C)OC2=CC=C3C[C@@H](COC3=C2C=C1)C4=C(O)C5=C(OC(C)(C)C=C5)C=C4

InChI

InChIKey=CJUFYKORDZSOLF-INIZCTEOSA-N

InChI=1S/C25H26O4/c1-24(2)11-9-18-20(28-24)8-6-17(22(18)26)16-13-15-5-7-21-19(23(15)27-14-16)10-12-25(3,4)29-21/h5-12,16,26H,13-14H2,1-4H3/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H26O4
Molecular Weight	390.4715
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 02:52:45 UTC 2023` Edited by `admin` on `Sat Dec 16 02:52:45 UTC 2023`
Record UNII	3386OSM882
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HISPAGLABRIDIN B

Common Name

English

2H-1-BENZOPYRAN-5-OL, 6-(3,4-DIHYDRO-8,8-DIMETHYL-2H,8H-BENZO(1,2-B:3,4-B')DIPYRAN-3-YL)-2,2-DIMETHYL-, (R)-

Systematic Name

English

2H-1-BENZOPYRAN-5-OL, 6-((3R)-3,4-DIHYDRO-8,8-DIMETHYL-2H,8H-BENZO(1,2-B:3,4-B')DIPYRAN-3-YL)-2,2-DIMETHYL-

Systematic Name

English

Code System Code Type Description

CAS

68978-02-9

Created by admin on Sat Dec 16 02:52:45 UTC 2023 , Edited by admin on Sat Dec 16 02:52:45 UTC 2023

PRIMARY

EPA CompTox

DTXSID201316642

Created by admin on Sat Dec 16 02:52:45 UTC 2023 , Edited by admin on Sat Dec 16 02:52:45 UTC 2023

PRIMARY

PUBCHEM

15228661

Created by admin on Sat Dec 16 02:52:45 UTC 2023 , Edited by admin on Sat Dec 16 02:52:45 UTC 2023

PRIMARY

FDA UNII

3386OSM882

Created by admin on Sat Dec 16 02:52:45 UTC 2023 , Edited by admin on Sat Dec 16 02:52:45 UTC 2023

PRIMARY

Related Record Type Details


					2788Z9758H

GLYCYRRHIZA GLABRA

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

A group of neolignan lipid esters and phenolic compounds isolated from the roots and stolons of liquorice (Glycyrrhiza glabra) were found to have chemopreventive properties. Of these compounds, hispaglabridin B isoliquiritigenin, and paratocarpin B were found to be the most potent anti-oxidant agents (Chin et al. 2007).


					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) = 3.12 mcg ml. Extracts of G. glabra var. typica (Spanish licorice)-but not var. grandulifera (Russian licorice) were repeatedly active in the screen.