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Wikstrol A

CAT: 0013-GTR19212310-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19212310-02Size:50 mg
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Description
Wikstrol A is a multi-target small molecule with antifungal activity against P. oryzae (MMDC 70.1 μM), antimitotic effects via microtubule polymerization inhibition (IC50 131 μM), and anti-HIV-1 activity (IC50 67.8 μM) . It is a useful research tool for studying fungal biology, cytoskeleton dynamics, and viral replication in vitro.
CAS Number
159736-35-3
Field of Research
Infectious Disease & Virology, Protein Biochemistry, Signal Transduction
Smiles
O=C1C (=C (OC=2C1=C (O) C=C (O) C2) C3=CC=C (O) C=C3) C4=C5C (CC (O) C (O5) C6=CC=C (O) C=C6) =C (O) C=C4O
Molecular Formula
C30H22O10
Molecular Weight
542.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)chroman-8-yl]chromen-4-one

Wikstrol A has been reported in Stellera chamaejasme, Daphne feddei, and Wikstroemia indica with data available.

CAS Number159736-35-3
PubChem CID5494382
IUPAC Name5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]chromen-4-one
Molecular FormulaC30H22O10
Molecular Weight542.5
XLogP4.2
Topological Polar Surface Area177
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count40
Formal Charge0
Complexity954
SMILES
C1C(C(OC2=C1C(=CC(=C2C3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)C6=CC=C(C=C6)O)O
InChI
InChI=1S/C30H22O10/c31-15-5-1-13(2-6-15)28-22(37)11-18-19(34)12-21(36)25(30(18)40-28)26-27(38)24-20(35)9-17(33)10-23(24)39-29(26)14-3-7-16(32)8-4-14/h1-10,12,22,28,31-37H,11H2
InChIKey
SRCSHETVEHQXLC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)chroman-8-yl]chromen-4-one
CAS: 159736-35-3
CID: 5494382
Formula: C30H22O10
MW: 542.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight542.5
XLogP34.2
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass542.12129689
Monoisotopic Mass542.12129689
Topological Polar Surface Area177 Ų
Heavy Atom Count40
Formal Charge0
Complexity954
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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