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Citrusinol

CAT: 0013-GTR19227636-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19227636-02Size:5 mg
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Description
Citrusinol is a small molecule compound utilized in life science research. It has been investigated in vitro for its potential biological activities, including studies related to cellular processes and metabolic pathways.
CAS Number
112516-43-5
Smiles
O=C1C (O) =C (OC2=C3C=CC (OC3=CC (O) =C12) (C) C) C=4C=CC (O) =CC4
Molecular Formula
C20H16O6
Molecular Weight
352.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3,5-Dihydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-4H,8H-benzo(1,2-b:3,4-b')dipyran-4-one

Citrusinol is an extended flavonoid.

CAS Number112516-43-5
PubChem CID44259051
IUPAC Name3,5-dihydroxy-2-(4-hydroxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one
Molecular FormulaC20H16O6
Molecular Weight352.3
XLogP3.8
Topological Polar Surface Area96.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count26
Formal Charge0
Complexity643
SMILES
CC1(C=CC2=C(O1)C=C(C3=C2OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)C
InChI
InChI=1S/C20H16O6/c1-20(2)8-7-12-14(26-20)9-13(22)15-16(23)17(24)18(25-19(12)15)10-3-5-11(21)6-4-10/h3-9,21-22,24H,1-2H3
InChIKey
OKQQXHUICMLKQI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Dihydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-4H,8H-benzo(1,2-b:3,4-b')dipyran-4-one
CAS: 112516-43-5
CID: 44259051
Formula: C20H16O6
MW: 352.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight352.3
XLogP33.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass352.09468823
Monoisotopic Mass352.09468823
Topological Polar Surface Area96.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity643
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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