3'-METHOXYGLABRADIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H22O5
Molecular Weight	354.3964
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(O)C=CC([C@@H]2COC3=C(C2)C=CC4=C3C=CC(C)(C)O4)=C1O

InChI

InChIKey=SBQBKTSYEKPBJF-ZDUSSCGKSA-N

InChI=1S/C21H22O5/c1-21(2)9-8-15-17(26-21)7-4-12-10-13(11-25-19(12)15)14-5-6-16(22)20(24-3)18(14)23/h4-9,13,22-23H,10-11H2,1-3H3/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H22O5
Molecular Weight	354.3964
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:46:09 GMT 2023` Edited by `admin` on `Sat Dec 16 08:46:09 GMT 2023`
Record UNII	39OP7EL0PK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3'-METHOXYGLABRADIN

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-METHOXY-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID301115970

Created by admin on Sat Dec 16 08:46:09 GMT 2023 , Edited by admin on Sat Dec 16 08:46:09 GMT 2023

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CAS

74046-05-2

Created by admin on Sat Dec 16 08:46:09 GMT 2023 , Edited by admin on Sat Dec 16 08:46:09 GMT 2023

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PUBCHEM

15228663

Created by admin on Sat Dec 16 08:46:09 GMT 2023 , Edited by admin on Sat Dec 16 08:46:09 GMT 2023

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FDA UNII

39OP7EL0PK

Created by admin on Sat Dec 16 08:46:09 GMT 2023 , Edited by admin on Sat Dec 16 08:46:09 GMT 2023

PRIMARY

Related Record Type Details


					2788Z9758H

GLYCYRRHIZA GLABRA

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

Minimum Inhibitory Concentration (MIC) for Staphylococcus aureus (ATCC 13709) = 50 mcg ml. Extracts of G. glabra var. typica (Spanish licorice)-but not var. grandulifera (Russian licorice) were repeatedly active in the screen.