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Xanthofulvin

CAT: 0013-GTR19255635-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255635-02Size:50 mg
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Description
Xanthofulvin is a signaling protein inhibitor with an IC50 value of 0.09 μg/mL.
CAS Number
151466-15-8
Smiles
O=C (O) C=1C (O) =C (O) C=C2OC3=C (C=C (C (O) =C4C (=O) C=5C (OC4) =CC (O) =C (O) C5C (=O) O) C (=C3C (=O) C) C) C (=O) C21
Molecular Formula
C28H18O14
Molecular Weight
578.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Xanthofulvin

Xanthofulvin is a homoflavonoid.

CAS Number151466-15-8
PubChem CID9894470
IUPAC Name5-acetyl-7-[(Z)-(5-carboxy-6,7-dihydroxy-4-oxochromen-3-ylidene)-hydroxymethyl]-2,3-dihydroxy-6-methyl-9-oxoxanthene-1-carboxylic acid
Molecular FormulaC28H18O14
Molecular Weight578.4
XLogP3.1
Topological Polar Surface Area245
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count14
Rotatable Bond Count4
Heavy Atom Count42
Formal Charge0
Complexity1210
SMILES
CC1=C(C=C2C(=C1C(=O)C)OC3=C(C2=O)C(=C(C(=C3)O)O)C(=O)O)/C(=C/4\COC5=C(C4=O)C(=C(C(=C5)O)O)C(=O)O)/O
InChI
InChI=1S/C28H18O14/c1-7-9(21(32)11-6-41-14-4-12(30)24(35)19(27(37)38)17(14)23(11)34)3-10-22(33)18-15(42-26(10)16(7)8(2)29)5-13(31)25(36)20(18)28(39)40/h3-5,30-32,35-36H,6H2,1-2H3,(H,37,38)(H,39,40)/b21-11-
InChIKey
VZJACTNXARYXEM-NHDPSOOVSA-N
Chemical Structure
2D Structure
2D structure of Xanthofulvin
CAS: 151466-15-8
CID: 9894470
Formula: C28H18O14
MW: 578.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight578.4
XLogP33.1
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count14
Rotatable Bond Count4
Exact Mass578.06965524
Monoisotopic Mass578.06965524
Topological Polar Surface Area245 Ų
Heavy Atom Count42
Formal Charge0
Complexity1210
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N14827Xanthofulvin

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