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4-Hydroxyderricin

CAT: 1410-M32753-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M32753-04Size:25 mg
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Description
4-Hydroxyderricin, a potent and selective MAO-B inhibitor (IC50: 3.43 μM), is the main active ingredient of Angelica sinensis, which mildly inhibits dopamine β-hydroxylase (DBH) activity and possesses antidepressant activity.
CAS Number
55912-03-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
338.4
Molecular Formula
C21H22O4
Notes
Research use only, not for human use.
Receptor
Dehydrogenase | MAO

Chemical Information

4-Hydroxyderricin

4-Hydroxyderricin is a member of chalcones.

CAS Number55912-03-3
PubChem CID6438503
IUPAC Name(E)-1-[2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Molecular FormulaC21H22O4
Molecular Weight338.4
XLogP5.4
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity484
SMILES
CC(=CCC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O)OC)C
InChI
InChI=1S/C21H22O4/c1-14(2)4-10-18-20(25-3)13-11-17(21(18)24)19(23)12-7-15-5-8-16(22)9-6-15/h4-9,11-13,22,24H,10H2,1-3H3/b12-7+
InChIKey
XDKYBPGIBVMHHB-KPKJPENVSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxyderricin
CAS: 55912-03-3
CID: 6438503
Formula: C21H22O4
MW: 338.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight338.4
XLogP35.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass338.15180918
Monoisotopic Mass338.15180918
Topological Polar Surface Area66.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity484
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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