DIHYDROCITRINONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C13H14O6
Molecular Weight	266.2467
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H]1OC(=O)C2=C(O)C(C(O)=O)=C(O)C(C)=C2[C@@H]1C

InChI

InChIKey=VVVMDYGNIVXIIG-INEUFUBQSA-N

InChI=1S/C13H14O6/c1-4-6(3)19-13(18)8-7(4)5(2)10(14)9(11(8)15)12(16)17/h4,6,14-15H,1-3H3,(H,16,17)/t4-,6-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C13H14O6
Molecular Weight	266.2467
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Staphylococcus aureus 67 Target ID: CHEMBL352 Sources: http://yyhx.ciac.jl.cn/EN/Y2018/V35/I6/708	Inhibitor 8297
Bacillus subtilis 8 Target ID: CHEMBL359 Sources: http://yyhx.ciac.jl.cn/EN/Y2018/V35/I6/708	Inhibitor 8297

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:17:40 GMT 2023` Edited by `admin` on `Sat Dec 16 10:17:40 GMT 2023`
Record UNII	9I8K50016V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIHYDROCITRINONE

Common Name

English

1H-2-BENZOPYRAN-7-CARBOXYLIC ACID, 3,4-DIHYDRO-6,8-DIHYDROXY-3,4,5-TRIMETHYL-1-OXO-, (3R,4S)-

Systematic Name

English

(3R,4S)-3,4-DIHYDRO-6,8-DIHYDROXY-3,4,5-TRIMETHYL-1-OXO-1H-2-BENZOPYRAN-7-CARBOXYLIC ACID

Systematic Name

English

CITRINONE, DIHYDRO-

Common Name

English

1H-2-BENZOPYRAN-7-CARBOXYLIC ACID, 3,4-DIHYDRO-6,8-DIHYDROXY-3,4,5-TRIMETHYL-1-OXO-, (3R-TRANS)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID10215926

Created by admin on Sat Dec 16 10:17:40 GMT 2023 , Edited by admin on Sat Dec 16 10:17:40 GMT 2023

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CAS

65718-85-6

Created by admin on Sat Dec 16 10:17:40 GMT 2023 , Edited by admin on Sat Dec 16 10:17:40 GMT 2023

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PUBCHEM

163095

Created by admin on Sat Dec 16 10:17:40 GMT 2023 , Edited by admin on Sat Dec 16 10:17:40 GMT 2023

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FDA UNII

9I8K50016V

Created by admin on Sat Dec 16 10:17:40 GMT 2023 , Edited by admin on Sat Dec 16 10:17:40 GMT 2023

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