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Albaspidin AA

CAT: 0804-HY-N0199-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N0199-01Size:1 mg
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Description
Albaspidin AA displays strong antibacterial activity against the vegetative form of Paenibacillus larvae (P. larvae) (MIC=220 μM) [1].
CAS Number
3570-40-9
UNSPSC
12352211
Target
Bacterial
Type
Natural Products
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/albaspidin-aa.html
Solubility
10 mM in DMSO
Smiles
O=C(C(C(C)=O)=C1O)C(CC(C(C(C(C)=O)=C2O)=O)=C(C(C)2C)O)=C(C(C)1C)O
Molecular Formula
C21H24O8
Molecular Weight
404.41
References & Citations
HypericumPaenibacillus larvae
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Albaspidin AA

2-acetyl-4-[(5-acetyl-2,6-dihydroxy-3,3-dimethyl-4-oxocyclohexa-1,5-dien-1-yl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one has been reported in Dryopteris hawaiiensis and Hypericum drummondii with data available.

CAS Number3570-40-9
PubChem CID14378646
IUPAC Name2-acetyl-4-[(5-acetyl-2,6-dihydroxy-3,3-dimethyl-4-oxocyclohexa-1,5-dien-1-yl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
Molecular FormulaC21H24O8
Molecular Weight404.4
XLogP1.4
Topological Polar Surface Area149
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity916
SMILES
CC(=O)C1=C(C(=C(C(C1=O)(C)C)O)CC2=C(C(C(=O)C(=C2O)C(=O)C)(C)C)O)O
InChI
InChI=1S/C21H24O8/c1-8(22)12-14(24)10(16(26)20(3,4)18(12)28)7-11-15(25)13(9(2)23)19(29)21(5,6)17(11)27/h24-27H,7H2,1-6H3
InChIKey
OBCJMBQBESJUST-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Albaspidin AA
CAS: 3570-40-9
CID: 14378646
Formula: C21H24O8
MW: 404.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight404.4
XLogP31.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass404.14711772
Monoisotopic Mass404.14711772
Topological Polar Surface Area149 Ų
Heavy Atom Count29
Formal Charge0
Complexity916
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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