ISOGLYCYROL

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H18O6
Molecular Weight	366.364
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C2C3=C(C4=CC=C(O)C=C4O3)C(=O)OC2=CC5=C1CCC(C)(C)O5

InChI

InChIKey=CFWLRXJPRRCJTI-UHFFFAOYSA-N

InChI=1S/C21H18O6/c1-21(2)7-6-12-14(27-21)9-15-17(18(12)24-3)19-16(20(23)26-15)11-5-4-10(22)8-13(11)25-19/h4-5,8-9,22H,6-7H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C21H18O6
Molecular Weight	366.364
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:48:36 UTC 2023` Edited by `admin` on `Sat Dec 16 09:48:36 UTC 2023`
Record UNII	9DR3EAN2PI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISOGLYCYROL

Common Name

English

1H,7H-BENZOFURO(3,2-C)PYRANO(3,2-G)(1)BENZOPYRAN-7-ONE, 2,3-DIHYDRO-10-HYDROXY-13-METHOXY-3,3-DIMETHYL-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID10177570

Created by admin on Sat Dec 16 09:48:36 UTC 2023 , Edited by admin on Sat Dec 16 09:48:36 UTC 2023

PRIMARY

CAS

23013-86-7

Created by admin on Sat Dec 16 09:48:36 UTC 2023 , Edited by admin on Sat Dec 16 09:48:36 UTC 2023

PRIMARY

FDA UNII

9DR3EAN2PI

Created by admin on Sat Dec 16 09:48:36 UTC 2023 , Edited by admin on Sat Dec 16 09:48:36 UTC 2023

PRIMARY

PUBCHEM

124050

Created by admin on Sat Dec 16 09:48:36 UTC 2023 , Edited by admin on Sat Dec 16 09:48:36 UTC 2023

PRIMARY

Related Record Type Details


					42B5YD8F0K

GLYCYRRHIZA URALENSIS ROOT

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

ISOGLYCYROL was tested for antimicrobial activity against methicillin sensitive Staphylococcus aureus, methicillin resistant S. aureus, Micrococcus luteus, Bacillus subtilis, Escherichia coli, Klebsiella pneumoniae and Pseudomonas aeruginosa and found to be inactive.