CAS 160436-10-2 | 4H-1-Benzopyran-4-one, 2-(3,5-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-, (2S)- | CAS Number 160436-10-2

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160436-10-2 | 4H-1-Benzopyran-4-one, 2-(3,5-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-, (2S)-

CAS No: 160436-10-2 Catalog No: AG001RWE MDL No:MFCD19441007

Product Description

Catalog Number:

AG001RWE

Chemical Name:

4H-1-Benzopyran-4-one, 2-(3,5-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-, (2S)-

CAS Number:

160436-10-2

Molecular Formula:

C15H12O6

Molecular Weight:

288.2522

MDL Number:

MFCD19441007

IUPAC Name:

(2S)-2-(3,5-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one

InChI:

InChI=1S/C15H12O6/c16-8-1-7(2-9(17)3-8)13-6-12(20)15-11(19)4-10(18)5-14(15)21-13/h1-5,13,16-19H,6H2/t13-/m0/s1

InChI Key:

AYHOUUNTAVCXBN-ZDUSSCGKSA-N

SMILES:

Oc1cc(O)cc(c1)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O

Properties

Complexity:

390

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

288.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

288.255g/mol

Monoisotopic Mass:

288.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

107A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Chiral flavanones from Amygdalus lycioides Spach: structural elucidation and identification of TNFalpha inhibitors by bioactivity-guided fractionation.	Molecules (Basel, Switzerland) 20120208
Flavonoids from Dracocephalum tanguticum and their cardioprotective effects against doxorubicin-induced toxicity in H9c2 cells.	Bioorganic & medicinal chemistry letters 20101115
Chemical and biologically active constituents of Pteris multifida.	Journal of natural medicines 20081001
Two new flavanone glycosides of Jasminum lanceolarium and their anti-oxidant activities.	Chemical & pharmaceutical bulletin 20070301