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Machilin A

CAT: 0804-HY-N12431-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N12431-01Size:1 mg
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Description
Machilin A is a lignan isolated from the methanolic extract of Phoebe bark. Machilin A inhibits melanin biosynthesis in B-16 mouse melanoma cells with an IC50 of 39.9 μM.
CAS Number
110269-50-6
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/machilin-a.html
Solubility
10 mM in DMSO
Smiles
C[C@H](CC1=CC=C(OCO2)C2=C1)[C@@H](C)CC3=CC=C(OCO4)C4=C3
Molecular Formula
C20H22O4
Molecular Weight
326.39
References & Citations
[1]Li G, et al.Melanin biosynthesis inhibitors from the bark of Machilus thunbergii. Biol Pharm Bull. 2003 Jul;26 (7) :1039-41.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Machilin A

Machilin A has been reported in Iryanthera lancifolia, Magnolia sinica, and Machilus thunbergii with data available.

CAS Number110269-50-6
PubChem CID10359012
IUPAC Name5-[(2R,3S)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-1,3-benzodioxole
Molecular FormulaC20H22O4
Molecular Weight326.4
XLogP5.4
Topological Polar Surface Area36.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity376
SMILES
C[C@H](CC1=CC2=C(C=C1)OCO2)[C@@H](C)CC3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C20H22O4/c1-13(7-15-3-5-17-19(9-15)23-11-21-17)14(2)8-16-4-6-18-20(10-16)24-12-22-18/h3-6,9-10,13-14H,7-8,11-12H2,1-2H3/t13-,14+
InChIKey
QEFJURUMSHPMTC-OKILXGFUSA-N
Chemical Structure
2D Structure
2D structure of Machilin A
CAS: 110269-50-6
CID: 10359012
Formula: C20H22O4
MW: 326.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.4
XLogP35.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass326.15180918
Monoisotopic Mass326.15180918
Topological Polar Surface Area36.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity376
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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