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Isowighteone

CAT: 0931-TN5445-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-TN5445-02Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
68436-47-5
Target
Others
Related Pathways
Others
Bioactivity
Isowighteone (3'-Prenylgenistein) is an isoflavone compound isolated from the hairy root of Cajanus cajan with cytotoxic and anticancer activity, and can be used in cancer research.
Smiles
O=C1C(=COC=2C=C(O)C=C(O)C12)C=3C=CC(O)=C(C3)CC=C(C)C
Molecular Formula
C20H18O5
Molecular Weight
338.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Isowighteone

Isowighteone is a member of the class of 7-hydroxyisoflavones that is isoflavone substituted by hydroxy groups at positions 5, 7 and 4' and a prenyl group at position 3'. It has been isolated from Ficus mucuso. It has a role as a plant metabolite. It is functionally related to an isoflavone.

CAS Number68436-47-5
PubChem CID5494866
IUPAC Name5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one
Molecular FormulaC20H18O5
Molecular Weight338.4
XLogP4.6
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity562
SMILES
CC(=CCC1=C(C=CC(=C1)C2=COC3=CC(=CC(=C3C2=O)O)O)O)C
InChI
InChI=1S/C20H18O5/c1-11(2)3-4-13-7-12(5-6-16(13)22)15-10-25-18-9-14(21)8-17(23)19(18)20(15)24/h3,5-10,21-23H,4H2,1-2H3
InChIKey
SWDSVBNAMCDHTF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isowighteone
CAS: 68436-47-5
CID: 5494866
Formula: C20H18O5
MW: 338.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight338.4
XLogP34.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass338.11542367
Monoisotopic Mass338.11542367
Topological Polar Surface Area87 Ų
Heavy Atom Count25
Formal Charge0
Complexity562
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

Alternative Products

CatalogName
564542Isowighteone
TBW00671α-Isowighteone
HY-N2847Alpha-Isowighteone

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