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Neoliquiritin

CAT: 0013-GTR19170631-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19170631-02Size:5 mg
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Description
Neoliquiritin is a research compound exhibiting potential cytotoxic effects with noted selectivity towards tumor cells. It is utilized in pharmacological studies for investigating anticancer mechanisms, with applications in both in vitro cell culture assays and in vivo experimental models.
CAS Number
5088-75-5
Product Name Alternative
Neoliquiritin, inhibit, Inhibitor
Purity
97.66% (May vary between batches)
Solubility
Pyridine, Methanol, etc.:Soluble; DMSO:50 mg/mL (119.51 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.78 mM) ; Ethanol:Soluble
Smiles
OC[C@H]1O[C@@H] (Oc2ccc3C (=O) C[C@H] (Oc3c2) c2ccc (O) cc2) [C@H] (O) [C@@H] (O) [C@@H]1O
Molecular Formula
C21H22O9
Molecular Weight
418.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Neoliquiritin

Neoliquiritin is a glycoside and a member of flavonoids.

CAS Number5088-75-5
PubChem CID51666248
IUPAC Name(2S)-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Molecular FormulaC21H22O9
Molecular Weight418.4
XLogP0.4
Topological Polar Surface Area146
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity593
SMILES
C1[C@H](OC2=C(C1=O)C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC=C(C=C4)O
InChI
InChI=1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-5-6-13-14(24)8-15(29-16(13)7-12)10-1-3-11(23)4-2-10/h1-7,15,17-23,25-27H,8-9H2/t15-,17+,18+,19-,20+,21+/m0/s1
InChIKey
HJBUYKZTEBZNSH-ZRWXNEIDSA-N
Chemical Structure
2D Structure
2D structure of Neoliquiritin
CAS: 5088-75-5
CID: 51666248
Formula: C21H22O9
MW: 418.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.4
XLogP30.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass418.12638228
Monoisotopic Mass418.12638228
Topological Polar Surface Area146 Ų
Heavy Atom Count30
Formal Charge0
Complexity593
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
FN74245Neoliquiritin
HY-N2123RNeoliquiritin (Standard)

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