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Aspidin BB

CAT: 0931-T73681-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T73681-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
584-28-1
Target
Apoptosis, Caspase, Bcl-2 Family, Others
Related Pathways
Proteases/Proteasome, Others, Apoptosis
Bioactivity
Aspidin BB, a phloroglucinol derivative isolated from the aerial part of Dryopteris championii, exhibits anticancer activity. It induces cell cycle arrest and apoptosis in human ovarian HO-8910 cells [1] [2].
Smiles
CCCC(=O)C1=C(O)C(C)(C)C(O)=C(Cc2c(O)c(C)c(OC)c(C(=O)CCC)c2O)C1=O
Molecular Formula
C25H32O8
Molecular Weight
460.52
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Aspidin

Aspidin is a carboxylic ester. It is functionally related to a phloroglucinol.

CAS Number584-28-1
PubChem CID120290
IUPAC Name2-butanoyl-4-[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
Molecular FormulaC25H32O8
Molecular Weight460.5
XLogP4.1
Topological Polar Surface Area141
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count33
Formal Charge0
Complexity852
SMILES
CCCC(=O)C1=C(C(=C(C(C1=O)(C)C)O)CC2=C(C(=C(C(=C2O)C)OC)C(=O)CCC)O)O
InChI
InChI=1S/C25H32O8/c1-7-9-15(26)17-20(29)13(19(28)12(3)22(17)33-6)11-14-21(30)18(16(27)10-8-2)24(32)25(4,5)23(14)31/h28-31H,7-11H2,1-6H3
InChIKey
PLGZOIJJUOHZJA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Aspidin
CAS: 584-28-1
CID: 120290
Formula: C25H32O8
MW: 460.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight460.5
XLogP34.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass460.20971797
Monoisotopic Mass460.20971797
Topological Polar Surface Area141 Ų
Heavy Atom Count33
Formal Charge0
Complexity852
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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CatalogName
GTR19221720-01Aspidin BB

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