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Alpinumisoflavone acetate

CAT: 0931-TN3396-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN3396-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
86989-18-6
Target
Apoptosis, Others
Related Pathways
Apoptosis, Others
Purity
0.9947
Bioactivity
Alpinumisoflavone acetate (4'-O-Acetylalpinumisoflavone) is a new alpinumisoflavone derivative. Alpinumisoflavone strongly inhibits germ tube growth at 0.63 ug/disc.
Smiles
OC1=C2C(=CC3=C1C=CC(C)(C)O3)OC=C(C2=O)C4=CC=C(OC(C)=O)C=C4
Molecular Formula
C22H18O6
Molecular Weight
378.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Alpinumisoflavone acetate
CAS Number86989-18-6
PubChem CID73554087
IUPAC Name[4-(5-hydroxy-2,2-dimethyl-6-oxopyrano[3,2-g]chromen-7-yl)phenyl] acetate
Molecular FormulaC22H18O6
Molecular Weight378.4
XLogP4.1
Topological Polar Surface Area82.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity700
SMILES
CC(=O)OC1=CC=C(C=C1)C2=COC3=CC4=C(C=CC(O4)(C)C)C(=C3C2=O)O
InChI
InChI=1S/C22H18O6/c1-12(23)27-14-6-4-13(5-7-14)16-11-26-18-10-17-15(8-9-22(2,3)28-17)20(24)19(18)21(16)25/h4-11,24H,1-3H3
InChIKey
UGAJYYNANGVRBF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Alpinumisoflavone acetate
CAS: 86989-18-6
CID: 73554087
Formula: C22H18O6
MW: 378.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.4
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass378.11033829
Monoisotopic Mass378.11033829
Topological Polar Surface Area82.1 Ų
Heavy Atom Count28
Formal Charge0
Complexity700
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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