1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3S)-2,2-dimethyl-3-[(E)-3-phenylprop-2-enoxy]-3,4-dihydropyrano[3,2-g]chromen-8-one

2.1.2 InChI

InChI=1S/C23H22O4/c1-23(2)21(25-12-6-9-16-7-4-3-5-8-16)14-18-13-17-10-11-22(24)26-19(17)15-20(18)27-23/h3-11,13,15,21H,12,14H2,1-2H3/b9-6+/t21-/m0/s1

2.1.3 InChI Key

KTTIANPTCWGYCN-JLXBBBJOSA-N

2.2 Other Identifiers

2.2.1 UNII

426P9HSR8I

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Progerinin

2. Kc-3

3. Unii-426p9hsr8i

4. Slc-d011

5. 2249696-72-6

6. Progerinin (usan)

7. Progerinin [usan]

8. Kc3

9. (7s)-(+)-8,8-dimethyl-7-(3-phenyl-allyloxy)-7,8-dihydro-6h-pyrano(3,2-g)chromen-2-one

10. (7s)-7,8-dihydro-8,8-dimethyl-7-(((2e)-3-phenyl-2-propen-1-yl)oxy)-2h,6h-benzo(1,2-b:5,4-b')dipyran-2-one

11. 2h,6h-benzo(1,2-b:5,4-b')dipyran-2-one, 7,8-dihydro-8,8-dimethyl-7-(((2e)-3-phenyl-2-propen-1-yl)oxy)-, (7s)-

12. (7s)-(+)-8,8-dimethyl-7-(3-phenyl-allyloxy)-7,8-dihydro-6h-pyrano[3,2-g]chromen-2-one

13. (7s)-7,8-dihydro-8,8-dimethyl-7-[[(2e)-3-phenyl-2-propen-1-yl]oxy]-2h,6h-benzo[1,2-b:5,4-b']dipyran-2-one

14. 2h,6h-benzo[1,2-b:5,4-b']dipyran-2-one, 7,8-dihydro-8,8-dimethyl-7-[[(2e)-3-phenyl-2-propen-1-yl]oxy]-, (7s)-

15. Chembl1631723

16. Schembl21681681

17. Schembl21681682

18. D12872

2.4 Create Date

2010-07-06

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₂₂O₄
Molecular Weight	362.4 g/mol
XLogP3	4.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	44.8
Heavy Atom Count	27
Formal Charge	0
Complexity	587
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Progerinin