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Morusin

CAT: 1299-RM-M152100-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-M152100-01Size:10 mg
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CAS Number
62596-29-6
Synonyms
2- (2,4-dihydroxyphenyl) -5-hydroxy-8,8-dimethyl-3- (3-methylbut-2-en-1-yl) pyrano[2,3-f]chromen-4 (8H) -one
Molecular Formula
C25H24O6
Molecular Weight
420.45
Target Alternative Name
Morusin
Product Name Synonym
2- (2,4-dihydroxyphenyl) -5-hydroxy-8,8-dimethyl-3- (3-methylbut-2-en-1-yl) pyrano[2,3-f]chromen-4 (8H) -one

Chemical Information

Morusin

Morusin is an extended flavonoid that is flavone substituted by hydroxy groups at positions 5, 2' and 4', a prenyl group at position 3 and a 2,2-dimethyl pyran group across positions 7 and 8. It has a role as an antineoplastic agent and a plant metabolite. It is a trihydroxyflavone and an extended flavonoid.

CAS Number62596-29-6
PubChem CID5281671
IUPAC Name2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one
Molecular FormulaC25H24O6
Molecular Weight420.5
XLogP5.5
Topological Polar Surface Area96.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity805
SMILES
CC(=CCC1=C(OC2=C(C1=O)C(=CC3=C2C=CC(O3)(C)C)O)C4=C(C=C(C=C4)O)O)C
InChI
InChI=1S/C25H24O6/c1-13(2)5-7-17-22(29)21-19(28)12-20-16(9-10-25(3,4)31-20)24(21)30-23(17)15-8-6-14(26)11-18(15)27/h5-6,8-12,26-28H,7H2,1-4H3
InChIKey
XFFOMNJIDRDDLQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Morusin
CAS: 62596-29-6
CID: 5281671
Formula: C25H24O6
MW: 420.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.5
XLogP35.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass420.15728848
Monoisotopic Mass420.15728848
Topological Polar Surface Area96.2 Ų
Heavy Atom Count31
Formal Charge0
Complexity805
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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Alternative Products

CatalogName
T5S1607-01Morusin
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A14647-10Morusin 10mg
371698Morusin discontinued
A14647-25Morusin 25mg
A14647-100Morusin 100mg

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