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Antioxidant agent-12

CAT: 0804-HY-N10166Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N10166Size:1 Each
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Description
Antioxidant agent-12 is an antioxidant active ingredient that can be isolated from Chuan-maidong[1].
CAS Number
212201-12-2
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/antioxidant-agent-12.html
Solubility
10 mM in DMSO
Smiles
CC1=C(O)C(C)=C2C(C(C(CC3=CC(OC)=C(O)C(OC)=C3)CO2)=O)=C1O
Molecular Formula
C20H22O7
Molecular Weight
374.38
References & Citations
[1]Lin Y, et al. Characterization of homoisoflavonoids in different cultivation regions of Ophiopogon japonicus and related antioxidant activity. J Pharm Biomed Anal. 2010 Sep 5;52 (5) :757-62.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

5,7-Dihydroxy-3-(4-hydroxy-3,5-dimethoxybenzyl)-6,8-dimethylchroman-4-one
CAS Number212201-12-2
PubChem CID129317280
IUPAC Name5,7-dihydroxy-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-6,8-dimethyl-2,3-dihydrochromen-4-one
Molecular FormulaC20H22O7
Molecular Weight374.4
XLogP3.5
Topological Polar Surface Area105
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity512
SMILES
CC1=C(C(=C2C(=C1O)C(=O)C(CO2)CC3=CC(=C(C(=C3)OC)O)OC)C)O
InChI
InChI=1S/C20H22O7/c1-9-16(21)10(2)20-15(17(9)22)18(23)12(8-27-20)5-11-6-13(25-3)19(24)14(7-11)26-4/h6-7,12,21-22,24H,5,8H2,1-4H3
InChIKey
JYKPEDLHLKPUKC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5,7-Dihydroxy-3-(4-hydroxy-3,5-dimethoxybenzyl)-6,8-dimethylchroman-4-one
CAS: 212201-12-2
CID: 129317280
Formula: C20H22O7
MW: 374.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight374.4
XLogP33.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass374.13655304
Monoisotopic Mass374.13655304
Topological Polar Surface Area105 Ų
Heavy Atom Count27
Formal Charge0
Complexity512
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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