2',5,7-Trihydroxy-8-methoxyflavanone

CAT: 0926-MEA40871-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-MEA40871-02Size:10 mg

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CAS Number

112408-71-6

MDL Number

MFCD19441027

Smiles

COC1=C (C=C (C2=C1OC (CC2=O) C3=CC=CC=C3O) O) O

Molecular Formula

C16H14O6

Molecular Weight

302.28 g/mol

Controlled

Chemical Information

(S)-5,7-Dihydroxy-2-(2-hydroxyphenyl)-8-methoxychroman-4-one

(S)-5,7-Dihydroxy-2-(2-hydroxyphenyl)-8-methoxychroman-4-one has been reported in Scutellaria indica with data available.

CAS Number	112408-71-6
PubChem CID	13889012
IUPAC Name	(2S)-5,7-dihydroxy-2-(2-hydroxyphenyl)-8-methoxy-2,3-dihydrochromen-4-one
Molecular Formula	C16H14O6
Molecular Weight	302.28
XLogP	2.4
Topological Polar Surface Area	96.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	22
Formal Charge	0
Complexity	413

SMILES

COC1=C(C=C(C2=C1O[C@@H](CC2=O)C3=CC=CC=C3O)O)O

InChI

InChI=1S/C16H14O6/c1-21-15-12(20)6-10(18)14-11(19)7-13(22-16(14)15)8-4-2-3-5-9(8)17/h2-6,13,17-18,20H,7H2,1H3/t13-/m0/s1

InChIKey

URBNKMKLIWQQRO-ZDUSSCGKSA-N

Chemical Structure

2D Structure

CAS: 112408-71-6

CID: 13889012

Formula: C16H14O6

MW: 302.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	302.28
XLogP3	2.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	302.07903816
Monoisotopic Mass	302.07903816
Topological Polar Surface Area	96.2 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	413
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
KDB95213-01	5,8,4'-Trihydroxy-7-methoxyflavone 8-o-glucoside
FH65556-01	7-Hydroxy-5-methoxyflavanone
FT74507-01	5,7,4’-Trihydroxy-8-methylflavanone
FM68084-01	7-Methoxyflavanone
YDA18798-01	5,2',6'-Trihydroxy-6,7,8-trimethoxyflavone
FT66491-01	3,5,7-Trihydroxy-4'-methoxyflavone
FT137927	3,5,4'-Trihydroxy-7-methoxyflavone
FM67595-01	5-Methoxyflavanone
YEA93132-01	5-Methoxyflavanone
HCA39371-01	4′,5,7-Trihydroxy-3,6,8-trimethoxyflavon

Catalog	Name
MBS5786720	2',5,7-Trihydroxy-8-methoxyflavanone
HY-N8595	2 (S) -5,7,2'-Trihydroxy-8-methoxyflavanone
GTR19233761	2,5-Dihydroxy-7-methoxyflavanone
sc-227119	7-Methoxyflavanone
MBS5791175	2',5,7-Trihydroxy-6,8-dimethoxyflavone
GTR19183972	5,7,4'-Trihydroxy-8-methylflavanone
GTR19180178	3,5,7-Trihydroxy-8-methoxyflavone
AB0085	5,7,4’-Trihydroxy-8-methylflavanone
TB0788-0025	5'7'4'-Trihydroxy-8-methylflavanone
M31388-01	5,7,4-Trihydroxy-8-methylflavanone