4,4',6-TRIMETHYLANGELICIN

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H12O3
Molecular Weight	228.2433
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4,4',6-TRIMETHYLANGELICIN

Structure Search

SMILES

CC1=COC2=C1C3=C(C=C2C)C(C)=CC(=O)O3

InChI

InChIKey=ZARUKNQGJBWWBA-UHFFFAOYSA-N

InChI=1S/C14H12O3/c1-7-5-11(15)17-14-10(7)4-8(2)13-12(14)9(3)6-16-13/h4-6H,1-3H3

HIDE SMILES / InChI

Molecular Formula	C14H12O3
Molecular Weight	228.2433
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 `Mon Mar 31 22:15:30 GMT 2025` Edited by `admin` on `Mon Mar 31 22:15:30 GMT 2025`
Record UNII	T2MYR3390L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4,4',6-TRIMETHYLANGELICIN

Common Name

English

4,6,4'-TRIMETHYLANGELICIN

Preferred Name

English

4,6,9-TRIMETHYL-2H-FURO(2,3-H)-1-BENZOPYRAN-2-ONE

Systematic Name

English

2H-FURO(2,3-H)-1-BENZOPYRAN-2-ONE, 4,6,9-TRIMETHYL-

Systematic Name

English

Classification Tree Code System Code

EU-Orphan Drug

EU/3/13/1137

Created by admin on Mon Mar 31 22:15:30 GMT 2025 , Edited by admin on Mon Mar 31 22:15:30 GMT 2025

Code System Code Type Description

EVMPD

SUB195638

Created by admin on Mon Mar 31 22:15:30 GMT 2025 , Edited by admin on Mon Mar 31 22:15:30 GMT 2025

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SMS_ID

100000181831

Created by admin on Mon Mar 31 22:15:30 GMT 2025 , Edited by admin on Mon Mar 31 22:15:30 GMT 2025

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EPA CompTox

DTXSID20238106

Created by admin on Mon Mar 31 22:15:30 GMT 2025 , Edited by admin on Mon Mar 31 22:15:30 GMT 2025

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CAS

90370-29-9

Created by admin on Mon Mar 31 22:15:30 GMT 2025 , Edited by admin on Mon Mar 31 22:15:30 GMT 2025

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FDA UNII

T2MYR3390L

Created by admin on Mon Mar 31 22:15:30 GMT 2025 , Edited by admin on Mon Mar 31 22:15:30 GMT 2025

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PUBCHEM

107731

Created by admin on Mon Mar 31 22:15:30 GMT 2025 , Edited by admin on Mon Mar 31 22:15:30 GMT 2025

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