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Wighteone

CAT: 0127-BUP02197-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP02197-05Size:50 mg
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CAS Number
51225-30-0
Synonyms
Erythrinin B, 6-Isopentenylgenistein
Purity
=98%
Smiles
O=C1C(=COC2=CC(O)=C(C(O)=C12)CC=C(C)C)C=3C=CC(O)=CC3

Chemical Information

Wighteone

Wighteone 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 6. It has been isolated from Ficus mucuso. It has a role as an antifungal agent and a plant metabolite. It is functionally related to an isoflavone.

CAS Number51225-30-0
PubChem CID5281814
IUPAC Name5,7-dihydroxy-3-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)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
Complexity554
SMILES
CC(=CCC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC=C(C=C3)O)O)C
InChI
InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17-18(19(14)23)20(24)15(10-25-17)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3
InChIKey
KIMDVVKVNNSHGZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Wighteone
CAS: 51225-30-0
CID: 5281814
Formula: C20H18O5
MW: 338.4
Interactive 3D Structure
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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
Complexity554
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
FW138624-01Wighteone

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