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Gancaonin N

CAT: 0804-HY-N8613Size: 1 EachDry Ice: NoHazardous: No
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Description
Gancaonin N is a Flavonoids product that can be isolated from the roots of Glycyrrhiza aspera Pall.[1].
CAS Number
129145-52-4
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/gancaonin-n.html
Smiles
O=C1C(C2=CC=C(OC)C=C2O)=COC3=CC(O)=C(C/C=C(C)\C)C(O)=C13
Molecular Formula
C21H20O6
Molecular Weight
368.38
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Gancaonin N

Gancaonin N is a member of isoflavanones.

CAS Number129145-52-4
PubChem CID14604080
IUPAC Name5,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one
Molecular FormulaC21H20O6
Molecular Weight368.4
XLogP4.6
Topological Polar Surface Area96.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity608
SMILES
CC(=CCC1=C(C2=C(C=C1O)OC=C(C2=O)C3=C(C=C(C=C3)OC)O)O)C
InChI
InChI=1S/C21H20O6/c1-11(2)4-6-14-17(23)9-18-19(20(14)24)21(25)15(10-27-18)13-7-5-12(26-3)8-16(13)22/h4-5,7-10,22-24H,6H2,1-3H3
InChIKey
STFVTZQCNYBLNE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gancaonin N
CAS: 129145-52-4
CID: 14604080
Formula: C21H20O6
MW: 368.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.4
XLogP34.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass368.12598835
Monoisotopic Mass368.12598835
Topological Polar Surface Area96.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity608
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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BFA71636Gancaonin I
BFA71634-01Gancaonin G
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380325Gancaonin M
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