TABAISOCOUMARIN B

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H16O4
Molecular Weight	260.2851
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1(C)CCC2=C3C=C(CO)OC(=O)C3=CC=C2O1

InChI

InChIKey=UZSKKZMMGAXGQZ-UHFFFAOYSA-N

InChI=1S/C15H16O4/c1-15(2)6-5-10-12-7-9(8-16)18-14(17)11(12)3-4-13(10)19-15/h3-4,7,16H,5-6,8H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C15H16O4
Molecular Weight	260.2851
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 10:51:42 GMT 2023` Edited by `admin` on `Sat Dec 16 10:51:42 GMT 2023`
Record UNII	Q23M5R3ZT8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TABAISOCOUMARIN B

Common Name

English

4H,8H-BENZO(1,2-B:4,3-C')DIPYRAN-4-ONE, 9,10-DIHYDRO-2-(HYDROXYMETHYL)-8,8-DIMETHYL-

Systematic Name

English

9,10-DIHYDRO-2-(HYDROXYMETHYL)-8,8-DIMETHYL-4H,8H-BENZO(1,2-B:4,3-C')DIPYRAN-4-ONE

Systematic Name

English

2-(HYDROXYMETHYL)-8,8-DIMETHYL-9,10-DIHYDROPYRANO(4,3-F)CHROMEN-4-ONE

Systematic Name

English

Code System Code Type Description

FDA UNII

Q23M5R3ZT8

Created by admin on Sat Dec 16 10:51:42 GMT 2023 , Edited by admin on Sat Dec 16 10:51:42 GMT 2023

PRIMARY

CAS

1672694-44-8

Created by admin on Sat Dec 16 10:51:42 GMT 2023 , Edited by admin on Sat Dec 16 10:51:42 GMT 2023

PRIMARY

PUBCHEM

102531487

Created by admin on Sat Dec 16 10:51:42 GMT 2023 , Edited by admin on Sat Dec 16 10:51:42 GMT 2023

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 33.8 ? 3.3%.

Amount: