HISPAGLABRIDIN A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H28O4
Molecular Weight	392.4874
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)=CCC1=C(O)C=CC([C@@H]2COC3=C4C=CC(C)(C)OC4=CC=C3C2)=C1O

InChI

InChIKey=HZHXMXSXYQCAIG-KRWDZBQOSA-N

InChI=1S/C25H28O4/c1-15(2)5-7-19-21(26)9-8-18(23(19)27)17-13-16-6-10-22-20(24(16)28-14-17)11-12-25(3,4)29-22/h5-6,8-12,17,26-27H,7,13-14H2,1-4H3/t17-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H28O4
Molecular Weight	392.4874
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
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 09:58:05 GMT 2023` Edited by `admin` on `Sat Dec 16 09:58:05 GMT 2023`
Record UNII	DQ76ZS34U8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HISPAGLABRIDIN A

Common Name

English

1,3-BENZENEDIOL, 4-((3R)-3,4-DIHYDRO-8,8-DIMETHYL-2H,8H-BENZO(1,2-B:3,4-B')DIPYRAN-3-YL)-2-(3-METHYL-2-BUTEN-1-YL)-

Systematic Name

English

Code System Code Type Description

CAS

68978-03-0

Created by admin on Sat Dec 16 09:58:06 GMT 2023 , Edited by admin on Sat Dec 16 09:58:06 GMT 2023

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FDA UNII

DQ76ZS34U8

Created by admin on Sat Dec 16 09:58:06 GMT 2023 , Edited by admin on Sat Dec 16 09:58:06 GMT 2023

PRIMARY

EPA CompTox

DTXSID00988738

Created by admin on Sat Dec 16 09:58:06 GMT 2023 , Edited by admin on Sat Dec 16 09:58:06 GMT 2023

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PUBCHEM

442774

Created by admin on Sat Dec 16 09:58:06 GMT 2023 , Edited by admin on Sat Dec 16 09:58:06 GMT 2023

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Related Record Type Details


					2788Z9758H

GLYCYRRHIZA GLABRA

PARENT -> CONSTITUENT ALWAYS PRESENT


					2788Z9758H

GLYCYRRHIZA GLABRA

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

Minimum Inhibitory Concentration (MIC) for Staphylococcus aureus (ATCC 13709) = 3.12 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.