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2',6'-Dihydroxy-4,4'-dimethoxychalcone

CAT: 0804-HY-N9136Size: 1 EachDry Ice: NoHazardous: No
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Description
2',6'-Dihydroxy-4,4'-dimethoxychalcone is a Chalcones product that can be isolated from the herbs of Cephalotaxus sinensis[1].
CAS Number
20621-49-2
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/2-6-dihydroxy-4-4-dimethoxychalcone.html
Smiles
O=C(C1=C(O)C=C(OC)C=C1O)/C=C/C2=CC=C(C=C2)OC
Molecular Formula
C17H16O5
Molecular Weight
300.31
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

(2E)-1-(2,6-Dihydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one

gymnogrammene has been reported in Vitex quinata, Pityrogramma calomelanos, and other organisms with data available.

CAS Number20621-49-2
PubChem CID6438580
IUPAC Name(E)-1-(2,6-dihydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Molecular FormulaC17H16O5
Molecular Weight300.30
XLogP3.5
Topological Polar Surface Area76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity375
SMILES
COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2O)OC)O
InChI
InChI=1S/C17H16O5/c1-21-12-6-3-11(4-7-12)5-8-14(18)17-15(19)9-13(22-2)10-16(17)20/h3-10,19-20H,1-2H3/b8-5+
InChIKey
NXHNEWMDVUHUCV-VMPITWQZSA-N
Chemical Structure
2D Structure
2D structure of (2E)-1-(2,6-Dihydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one
CAS: 20621-49-2
CID: 6438580
Formula: C17H16O5
MW: 300.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.30
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass300.09977361
Monoisotopic Mass300.09977361
Topological Polar Surface Area76 Ų
Heavy Atom Count22
Formal Charge0
Complexity375
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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