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Gancaonin M

CAT: 0804-HY-N3922-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N3922-01Size:1 mg
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Description
Gancaonin M is a Flavonoids product that can be isolated from the roots of Glycyrrhiza uralensis Fisch[1].
CAS Number
129145-51-3
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/gancaonin-m.html
Purity
97.13
Smiles
O=C1C(C2=CC=C(OC)C=C2)=COC3=C(C/C=C(C)\C)C(O)=CC(O)=C13
Molecular Formula
C21H20O5
Molecular Weight
352.38
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, protect from light)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Gancaonin M

Gancaonin M is a methoxyisoflavone.

CAS Number129145-51-3
PubChem CID14604078
IUPAC Name5,7-dihydroxy-3-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
Molecular FormulaC21H20O5
Molecular Weight352.4
XLogP4.9
Topological Polar Surface Area76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity569
SMILES
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=CO2)C3=CC=C(C=C3)OC)C
InChI
InChI=1S/C21H20O5/c1-12(2)4-9-15-17(22)10-18(23)19-20(24)16(11-26-21(15)19)13-5-7-14(25-3)8-6-13/h4-8,10-11,22-23H,9H2,1-3H3
InChIKey
DDLPIQXHEKZHQX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gancaonin M
CAS: 129145-51-3
CID: 14604078
Formula: C21H20O5
MW: 352.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight352.4
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass352.13107373
Monoisotopic Mass352.13107373
Topological Polar Surface Area76 Ų
Heavy Atom Count26
Formal Charge0
Complexity569
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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TBW00569Gancaonin M
TN4098Gancaonin I
380326Gancaonin N
MBS5787743Gancaonin J
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