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Tangeretin 10mg

CAT: 0628-A10888-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A10888-10Size:10 mg
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CAS Number
481-53-8

Chemical Information

Tangeretin

Tangeretin is a pentamethoxyflavone flavone with methoxy groups at positions 4', 5, 6 , 7 and 8. It has a role as an antineoplastic agent and a plant metabolite.

CAS Number481-53-8
PubChem CID68077
IUPAC Name5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one
Molecular FormulaC20H20O7
Molecular Weight372.4
XLogP3
Topological Polar Surface Area72.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity540
SMILES
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC
InChI
InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3
InChIKey
ULSUXBXHSYSGDT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tangeretin
CAS: 481-53-8
CID: 68077
Formula: C20H20O7
MW: 372.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.4
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass372.12090297
Monoisotopic Mass372.12090297
Topological Polar Surface Area72.5 Ų
Heavy Atom Count27
Formal Charge0
Complexity540
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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