1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one

2.1.2 InChI

InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)16-19(25-4)15(21)13-10-14(23-2)18(24-3)20(26-5)17(13)27-16/h6-10H,1-5H3

2.1.3 InChI Key

DGNOHOXRWCCDLK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC=C(C=C1)C2=C(C(=O)C3=CC(=C(C(=C3O2)OC)OC)OC)OC

2.2 Other Identifiers

2.2.1 UNII

6532ZBU2J5

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Aurantin

2.3.2 Depositor-Supplied Synonyms

1. Aurantine

2. 522-16-7

3. 3,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one

4. 6532zbu2j5

5. 4h-1-benzopyran-4-one, 3,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-

6. 3,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4h-1-benzopyran-4-one

7. 12619-61-3

8. Flavone, 3,4',6,7,8-pentamethoxy-

9. Unii-6532zbu2j5

10. Dtxsid40966575

11. Chebi:175776

12. 3,4',6,7,8-pentamethoxyflavone

13. 3,6,7,8,4'-pentamethoxyflavone

14. Zinc2036726

15. Lmpk12111612

16. 3,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4h-chromen-4-one

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₀O₇
Molecular Weight	372.4 g/mol
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	372.12090297 g/mol
Monoisotopic Mass	372.12090297 g/mol
Topological Polar Surface Area	72.4 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	553
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

Auranetin