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Neoeriocitrin

CAT: 0013-GTR19156259-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19156259-02Size:200 mg
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Description
Neoeriocitrin is a natural product isolated from Drynaria Rhizome, shows activity on proliferation and osteogenic differentiation in MC3T3-E1. Neoeriocitrin is a potent acetylcholinesterase (AChE) inhibitor.
CAS Number
13241-32-2
Purity
>98% (HPLC)
Solubility
DMSO:10 mM
Smiles
O=C1C2=C (O) C=C (O[C@H]3[C@@H] ([C@H] ([C@H] (O) [C@@H] (CO) O3) O) O[C@@]4 ([H]) [C@@H] ([C@@H] ([C@@H] (O) [C@H] (C) O4) O) O) C=C2O[C@H] (C5=CC (O) =C (O) C=C5) C1
Molecular Formula
C27H32O15
Molecular Weight
596.54
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Neoeriocitrin

Neoeriocitrin is a flavanone glycoside that is eriodictyol substituted by a 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It has a role as a plant metabolite. It is a member of 4'-hydroxyflavanones, a neohesperidoside, a trihydroxyflavanone, a disaccharide derivative and a flavanone glycoside. It is functionally related to an eriodictyol.

CAS Number13241-32-2
PubChem CID114627
IUPAC Name(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-2,3-dihydrochromen-4-one
Molecular FormulaC27H32O15
Molecular Weight596.5
XLogP-0.9
Topological Polar Surface Area245
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count15
Rotatable Bond Count6
Heavy Atom Count42
Formal Charge0
Complexity924
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)O)O)O)CO)O)O)O)O)O
InChI
InChI=1S/C27H32O15/c1-9-20(33)22(35)24(37)26(38-9)42-25-23(36)21(34)18(8-28)41-27(25)39-11-5-14(31)19-15(32)7-16(40-17(19)6-11)10-2-3-12(29)13(30)4-10/h2-6,9,16,18,20-31,33-37H,7-8H2,1H3/t9-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
InChIKey
OBKKEZLIABHSGY-DOYQYKRZSA-N
Chemical Structure
2D Structure
2D structure of Neoeriocitrin
CAS: 13241-32-2
CID: 114627
Formula: C27H32O15
MW: 596.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight596.5
XLogP3-0.9
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count15
Rotatable Bond Count6
Exact Mass596.17412031
Monoisotopic Mass596.17412031
Topological Polar Surface Area245 Ų
Heavy Atom Count42
Formal Charge0
Complexity924
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N4119-01Neoeriocitrin
HY-N4119RNeoeriocitrin (Standard)
371721Neoeriocitrin discontinued

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