TABAISOCOUMARIN A

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H18O4
Molecular Weight	274.3117
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC=C2C(=O)OC(CO)=CC2=C1CC=C(C)C

InChI

InChIKey=WTJKSILYOVTJII-UHFFFAOYSA-N

InChI=1S/C16H18O4/c1-10(2)4-5-12-14-8-11(9-17)20-16(18)13(14)6-7-15(12)19-3/h4,6-8,17H,5,9H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C16H18O4
Molecular Weight	274.3117
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 23:28:46 GMT 2025` Edited by `admin` on `Mon Mar 31 23:28:46 GMT 2025`
Record UNII	4SA9DSU6M6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TABAISOCOUMARIN A

Common Name

English

1H-2-BENZOPYRAN-1-ONE, 3-(HYDROXYMETHYL)-6-METHOXY-5-(3-METHYL-2-BUTEN-1-YL)-

Preferred Name

English

3-(HYDROXYMETHYL)-6-METHOXY-5-(3-METHYL-2-BUTEN-1-YL)-1H-2-BENZOPYRAN-1-ONE

Systematic Name

English

Code System Code Type Description

FDA UNII

4SA9DSU6M6

Created by admin on Mon Mar 31 23:28:46 GMT 2025 , Edited by admin on Mon Mar 31 23:28:46 GMT 2025

PRIMARY

PUBCHEM

102531486

Created by admin on Mon Mar 31 23:28:46 GMT 2025 , Edited by admin on Mon Mar 31 23:28:46 GMT 2025

PRIMARY

CAS

1887210-63-0

Created by admin on Mon Mar 31 23:28:46 GMT 2025 , Edited by admin on Mon Mar 31 23:28:46 GMT 2025

PRIMARY

Related Record Type Details


					6DI1HBV20R

NICOTIANA TABACUM WHOLE

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

A 70% aq. acetone extract prepared from the roots and stems of N. tabacum was partitioned between EtOAc and H2O. TMV infection inhibition activity of compound 24.6 ? 3.1%.

Amount: