SAPPANONE A

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H12O5
Molecular Weight	284.2635
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of SAPPANONE A

Structure Search

SMILES

OC1=CC2=C(C=C1)C(=O)\C(CO2)=C\C3=CC(O)=C(O)C=C3

InChI

InChIKey=KVYZXXBTJHJISR-BJMVGYQFSA-N

InChI=1S/C16H12O5/c17-11-2-3-12-15(7-11)21-8-10(16(12)20)5-9-1-4-13(18)14(19)6-9/h1-7,17-19H,8H2/b10-5+

HIDE SMILES / InChI

Molecular Formula	C16H12O5
Molecular Weight	284.2635
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:29:13 GMT 2023` Edited by `admin` on `Sat Dec 16 17:29:13 GMT 2023`
Record UNII	659E9Z3J5X
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

SAPPANONE A

Common Name

English

(3E)-3-[(3,4-Dihydroxyphenyl)methylene]-2,3-dihydro-7-hydroxy-4H-1-benzopyran-4-one

Systematic Name

English

4H-1-Benzopyran-4-one, 3-[(3,4-dihydroxyphenyl)methylene]-2,3-dihydro-7-hydroxy-, (3E)-

Systematic Name

English

3-((3,4-DIHYDROXYPHENYL)METHYLENE)-2,3-DIHYDRO-7-HYDROXY-4H-1-BENZOPYRAN-4-ONE

Systematic Name

English

4H-1-BENZOPYRAN-4-ONE, 3-((3,4-DIHYDROXYPHENYL)METHYLENE)-2,3-DIHYDRO-7-HYDROXY-

Systematic Name

English

Code System Code Type Description

CAS

104778-14-5

Created by admin on Sat Dec 16 17:29:13 GMT 2023 , Edited by admin on Sat Dec 16 17:29:13 GMT 2023

PRIMARY

CAS

112458-02-3

Created by admin on Sat Dec 16 17:29:13 GMT 2023 , Edited by admin on Sat Dec 16 17:29:13 GMT 2023

NON-SPECIFIC STEREOCHEMISTRY

WIKIPEDIA

Sappanone A

Created by admin on Sat Dec 16 17:29:13 GMT 2023 , Edited by admin on Sat Dec 16 17:29:13 GMT 2023

PRIMARY

FDA UNII

659E9Z3J5X

Created by admin on Sat Dec 16 17:29:13 GMT 2023 , Edited by admin on Sat Dec 16 17:29:13 GMT 2023

PRIMARY

CAS

102067-84-5

Created by admin on Sat Dec 16 17:29:13 GMT 2023 , Edited by admin on Sat Dec 16 17:29:13 GMT 2023

NON-SPECIFIC STEREOCHEMISTRY

PUBCHEM

9817274

Created by admin on Sat Dec 16 17:29:13 GMT 2023 , Edited by admin on Sat Dec 16 17:29:13 GMT 2023

PRIMARY

EPA CompTox

DTXSID201031878

Created by admin on Sat Dec 16 17:29:13 GMT 2023 , Edited by admin on Sat Dec 16 17:29:13 GMT 2023

PRIMARY