Recoflavone

Synopsis, Chemistry

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Also known as: 203191-10-0, Da-6034, Recoflavone [inn], Da 6034, 7-(carboxymethyloxy)-3',4',5-trimethoxyflavone, U96j5lg435

Molecular Formula

C₂₀H₁₈O₈

Molecular Weight

386.4 g/mol

InChI Key

BCPQOBQIVJZOFL-UHFFFAOYSA-N

FDA UNII

U96J5LG435

Recoflavone has been used in trials studying the treatment of Acute Gastritis, Dry Eye Syndrome, and Chronic Gastritis.

1 2D Structure

Recoflavone

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[2-(3,4-dimethoxyphenyl)-5-methoxy-4-oxochromen-7-yl]oxyacetic acid

2.1.2 InChI

InChI=1S/C20H18O8/c1-24-14-5-4-11(6-16(14)25-2)15-9-13(21)20-17(26-3)7-12(8-18(20)28-15)27-10-19(22)23/h4-9H,10H2,1-3H3,(H,22,23)

2.1.3 InChI Key

BCPQOBQIVJZOFL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3OC)OCC(=O)O)OC

2.2 Other Identifiers

2.2.1 UNII

U96J5LG435

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 7-carboxymethoxyloxy-3',4',5-trimethoxyflavone

2. Da 6034

3. Da-6034

2.3.2 Depositor-Supplied Synonyms

1. 203191-10-0

2. Da-6034

3. Recoflavone [inn]

4. Da 6034

5. 7-(carboxymethyloxy)-3',4',5-trimethoxyflavone

6. U96j5lg435

7. Da6034

8. 2-((2-(3,4-dimethoxyphenyl)-5-methoxy-4-oxo-4h-chromen-7-yl)oxy)acetic Acid

9. Acetic Acid, ((2-(3,4-dimethoxyphenyl)-5-methoxy-4-oxo-4h-1-benzopyran-7-yl)oxy)-

10. Acetic Acid, 2-[[2-(3,4-dimethoxyphenyl)-5-methoxy-4-oxo-4h-1-benzopyran-7-yl]oxy]-

11. Unii-u96j5lg435

12. Acetic Acid, 2-((2-(3,4-dimethoxyphenyl)-5-methoxy-4-oxo-4h-1-benzopyran-7-yl)oxy)-

13. Schembl2483541

14. Chembl4297606

15. Dtxsid50174205

16. 2-[2-(3,4-dimethoxyphenyl)-5-methoxy-4-oxochromen-7-yl]oxyacetic Acid

17. Db12058

18. Sb18971

19. Da-60342

20. Hy-106449

21. Cs-0025847

22. 7-carboxymethoxyloxy-3',4',5-trimethoxyflavone

23. Q27290945

24. ((2-(3,4-dimethoxyphenyl)-5-methoxy-4-oxo-4h-chromen-7-yl)oxy)acetic Acid

25. [2-(3,4-dimethoxyphenyl)-5-methoxy-4-oxo-4h-1-benzopyran-7-yloxy]acetic Acid

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₁₈O₈
Molecular Weight	386.4 g/mol
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	386.10016753 g/mol
Monoisotopic Mass	386.10016753 g/mol
Topological Polar Surface Area	101 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	603
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1