Epsilon-Viniferin

Synopsis, Chemistry

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Also known as: 62218-08-0, Chebi:10556, 0k8z2k6y7o, Chembl1224875, Epsilon-viniferine, (-)-.epsilon.-viniferin

Molecular Formula

C₂₈H₂₂O₆

Molecular Weight

454.5 g/mol

InChI Key

FQWLMRXWKZGLFI-YVYUXZJTSA-N

FDA UNII

0K8Z2K6Y7O

-viniferin is a natural product found in Dipterocarpus grandiflorus, Dipterocarpus hasseltii, and other organisms with data available.

1 2D Structure

Epsilon-Viniferin

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-[(2R,3R)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol

2.1.2 InChI

InChI=1S/C28H22O6/c29-20-7-2-16(3-8-20)1-4-18-11-24(33)15-25-26(18)27(19-12-22(31)14-23(32)13-19)28(34-25)17-5-9-21(30)10-6-17/h1-15,27-33H/b4-1+/t27-,28+/m1/s1

2.1.3 InChI Key

FQWLMRXWKZGLFI-YVYUXZJTSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O

2.1.5 Isomeric SMILES

C1=CC(=CC=C1/C=C/C2=C3[C@H]([C@@H](OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O

2.2 Other Identifiers

2.2.1 UNII

0K8Z2K6Y7O

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Epsilon-viniferine

2.3.2 Depositor-Supplied Synonyms

1. 62218-08-0

2. Chebi:10556

3. 0k8z2k6y7o

4. Chembl1224875

5. Epsilon-viniferine

6. (-)-.epsilon.-viniferin

7. Ac1nqyz4

8. Resveratrol Dimer

9. 253435-07-3

10. (-)-epsilon-viniferin

11. W2075

12. .epsilon.-viniferin

13. Viniferin, Epsilon-

14. Surecn3041632

15. Unii-0k8z2k6y7o

16. (-)-trans-epsilon-viniferin

17. Schembl3041632

18. Epsilon-viniferin , Hplc Grade

19. (e)-.epsilon.-viniferin

20. 5-{(2r,3r)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(e)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl}benzene-1,3-diol

21. Hy-n3841

22. Zinc4098643

23. Bdbm50531887

24. Mfcd12964987

25. 5-(2,3-dihydro-6-hydroxy-2(4-hydroxyphenyl)4-(2-(4-hydroxyphenyl)ethenyl)-3-benzofuranyl)-1,3-benzenediol

26. Cs-0024314

27. Q5383943

28. (2r)-2beta-(4-hydroxyphenyl)-3alpha-(3,5-dihydroxyphenyl)-4-(4-hydroxystyryl)-2,3-dihydrobenzofuran-6-ol

29. 1,3-benzenediol, 5-((2r,3r)-2,3-dihydro-6-hydroxy-2-(4-hydroxyphenyl)-4-((1e)-2-(4-hydroxyphenyl)ethenyl)-3-benzofuranyl)-

30. 1,3-benzenediol, 5-(2,3-dihydro-6-hydroxy-2(4-hydroxyphenyl)4-(2-(4-hydroxyphenyl)ethenyl)-3-benzofuranyl)-

31. 1,3-benzenediol, 5-(2,3-dihydro-6-hydroxy-2-(4-hydroxyphenyl)-4-(2-(4-hydroxyphenyl)ethenyl)-3-benzofuranyl)-, (2r-(2.alpha.,3.beta.,4(e)))-

32. 5-((2r,3r)-2,3-dihydro-6-hydroxy-2-(4-hydroxyphenyl)-4-((1e)-2-(4-hydroxyphenyl)ethenyl)-3-benzofuranyl)-1,3-benzenediol

33. 5-[(2r,3r)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(e)-2-(4-hydroxyphenyl)vinyl]-2,3-dihydrobenzofuran-3-yl]benzene-1,3-diol

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₂₈H₂₂O₆
Molecular Weight	454.5 g/mol
XLogP3	5.4
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	454.14163842 g/mol
Monoisotopic Mass	454.14163842 g/mol
Topological Polar Surface Area	110 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	672
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1