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Morusinol

CAT: 0931-TN1953-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TN1953-01Size:1 mg
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CAS Number
62949-93-3
Target
Ras, Autophagy, ERK, MEK
Related Pathways
Autophagy, GPCR/G Protein, MAPK
Purity
0.9999
Bioactivity
Morusinol is a flavonoid extracted from the root bark of Morus alba. Morusinol has antiplatelet and anticancer activities, inhibits arterial thrombosis in vivo, and exerts antitumor activity by inducing autophagy, G2/M cell cycle blockade, inhibiting cell invasion and migration, and targeting the Ras/MEK/ERK pathway.
Smiles
O=C1C2=C(O)C=C3OC(C=CC3=C2OC(C=4C=CC(O)=CC4O)=C1CCC(O)(C)C)(C)C
Molecular Formula
C25H26O7
Molecular Weight
438.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(2,4-Dihydroxyphenyl)-5-hydroxy-3-(3-hydroxy-3-methylbutyl)-8,8-dimethyl-4H,8H-benzo(1,2-b:3,4-b')dipyran-4-one

Morusinol is a member of flavones.

CAS Number62949-93-3
PubChem CID5481968
IUPAC Name2-(2,4-dihydroxyphenyl)-5-hydroxy-3-(3-hydroxy-3-methylbutyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one
Molecular FormulaC25H26O7
Molecular Weight438.5
XLogP4.1
Topological Polar Surface Area116
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity798
SMILES
CC1(C=CC2=C(O1)C=C(C3=C2OC(=C(C3=O)CCC(C)(C)O)C4=C(C=C(C=C4)O)O)O)C
InChI
InChI=1S/C25H26O7/c1-24(2,30)9-7-16-21(29)20-18(28)12-19-15(8-10-25(3,4)32-19)23(20)31-22(16)14-6-5-13(26)11-17(14)27/h5-6,8,10-12,26-28,30H,7,9H2,1-4H3
InChIKey
AFOKZNPZDXHDHD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2,4-Dihydroxyphenyl)-5-hydroxy-3-(3-hydroxy-3-methylbutyl)-8,8-dimethyl-4H,8H-benzo(1,2-b:3,4-b')dipyran-4-one
CAS: 62949-93-3
CID: 5481968
Formula: C25H26O7
MW: 438.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight438.5
XLogP34.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass438.16785316
Monoisotopic Mass438.16785316
Topological Polar Surface Area116 Ų
Heavy Atom Count32
Formal Charge0
Complexity798
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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