3',5,5',7-Tetrahydroxyflavanone

CAT: 0926-KGA43610-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0926-KGA43610-01Size:1 mg

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CAS Number

160436-10-2

Smiles

C1C (OC2=CC (=CC (=C2C1=O) O) O) C3=CC (=CC (=C3) O) O

Molecular Formula

C15H12O6

Molecular Weight

288.25 g/mol

Controlled

Chemical Information

3',5,5',7-Tetrahydroxyflavanone

3',5,5',7-Tetrahydroxyflavanone has been reported in Dalbergia odorifera and Maclura tricuspidata with data available.

CAS Number	160436-10-2
PubChem CID	52945930
IUPAC Name	(2S)-2-(3,5-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
Molecular Formula	C15H12O6
Molecular Weight	288.25
XLogP	2
Topological Polar Surface Area	107
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Heavy Atom Count	21
Formal Charge	0
Complexity	390

SMILES

C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=CC(=C3)O)O

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

InChIKey

AYHOUUNTAVCXBN-ZDUSSCGKSA-N

Chemical Structure

2D Structure

CAS: 160436-10-2

CID: 52945930

Formula: C15H12O6

MW: 288.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	288.25
XLogP3	2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	288.06338810
Monoisotopic Mass	288.06338810
Topological Polar Surface Area	107 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	390
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FDA60416-01	2',5,6',7-Tetrahydroxyflavanone
FT66081-01	3,3',4',7-Tetrahydroxyflavanone
FT65739-01	2',3,5,7-Tetrahydroxyflavone
XT183039-01	7,3',4',5'-Tetrahydroxyflavone
FM157175-01	6-Methoxy-3,5,7,4'-tetrahydroxyflavone
FT166864-01	5,6,7,8-Tetrahydroxyflavone
HDA47500-01	2',5,6',7-Tetrahydroxyflavone
XT161927-01	5,6,7,2'-Tetrahydroxyflavone
WYB76270-01	5'-Geranyl-5,7,2',4'-tetrahydroxyflavone
BAA00005	1,1,3,3,5,5,7,7-Octamethyltetrasiloxane

Catalog	Name
379161	3',5,5',7-Tetrahydroxyflavanone
GTR19228234-01	5,7,3',5'-Tetrahydroxyflavanone
GTR19233061	(2S) -5,7,3',5'-Tetrahydroxyflavanone
GTR19226905-01	3,5,7,4''-Tetrahydroxyflavanone
HY-N1672-01	5,7,2′,6′-Tetrahydroxyflavanone
TN2725	2',5,6',7-Tetrahydroxyflavanone
HY-W975617	4',5,7,8-Tetrahydroxyflavanone
T130743-01	6-Glucosyl-3,4',5,7-tetrahydroxyflavanone
GTR19277916-01	2',5,5',7-Tetrahydroxyflavanone (S-Form)
T124762-01	5,6,7,4'-Tetrahydroxyflavanone 6,7-diglucoside