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4'-O-Methylatalantoflavone

CAT: 0804-HY-N13653Size: 1 EachDry Ice: NoHazardous: No
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Description
4'-O-Methylatalantoflavone is a natural product[1].
CAS Number
1205687-49-5
UNSPSC
12352211
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/4-o-methylatalantoflavone.html
Smiles
O=C1C=C(C2=CC=C(OC)C=C2)OC3=C4C=CC(C)(C)OC4=CC(O)=C13
Molecular Formula
C21H18O5
Molecular Weight
350.36
References & Citations
[1]Harvey A L. Natural products in drug discovery[J]. Drug discovery today, 2008, 13 (19-20) : 894-901.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

4'-O-Methylatalantoflavone

5-Hydroxy-2-(4-methoxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one has been reported in Atalantia buxifolia with data available.

CAS Number1205687-49-5
PubChem CID154804638
IUPAC Name5-hydroxy-2-(4-methoxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one
Molecular FormulaC21H18O5
Molecular Weight350.4
XLogP4.3
Topological Polar Surface Area65
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity614
SMILES
CC1(C=CC2=C(O1)C=C(C3=C2OC(=CC3=O)C4=CC=C(C=C4)OC)O)C
InChI
InChI=1S/C21H18O5/c1-21(2)9-8-14-18(26-21)11-16(23)19-15(22)10-17(25-20(14)19)12-4-6-13(24-3)7-5-12/h4-11,23H,1-3H3
InChIKey
ZBCMZXUJUABTJX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4'-O-Methylatalantoflavone
CAS: 1205687-49-5
CID: 154804638
Formula: C21H18O5
MW: 350.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight350.4
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass350.11542367
Monoisotopic Mass350.11542367
Topological Polar Surface Area65 Ų
Heavy Atom Count26
Formal Charge0
Complexity614
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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