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Dryocrassin ABBA

CAT: 0013-GTR19158005-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19158005-02Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Dryocrassin ABBA (Dryocrassin) is a flavonoid natural product derived from Dryopteris crassirhizoma, with antiviral and antibacterial activities. Dryocrassin ABBA exhibits antiviral activity against H5N1 avian influenza virus. Dryocrassin ABBA inhibits the coagulase activity of Staphylococcus aureus vWbp. Dryocrassin ABBA suppresses immunostimulatory function of dendritic cells and prolongs skin allograft survival.
CAS Number
12777-70-7
Field of Research
Musculoskeletal & Connective Tissue Research
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 16.67 mg/mL (20.31 mM)
Smiles
OC1=C (C (O) =C (C (CCC) =O) C (O) =C1CC (C (C (C (C) =O) =C (O) C2 (C) C) =O) =C2O) CC (C (O) =C (C (CCC) =O) C (O) =C3CC (C (C (C (C) =O) =C (O) C4 (C) C) =O) =C4O) =C3O
Molecular Formula
C??H??O??
Molecular Weight
820.83
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

4,4'-(Methylenebis((5-butanoyl-2,4,6-trihydroxy-3,1-phenylene)methylene))bis(2-acetyl-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one)
CAS Number12777-70-7
PubChem CID3082025
IUPAC Name2-acetyl-4-[[3-[[3-[(5-acetyl-2,6-dihydroxy-3,3-dimethyl-4-oxocyclohexa-1,5-dien-1-yl)methyl]-5-butanoyl-2,4,6-trihydroxyphenyl]methyl]-5-butanoyl-2,4,6-trihydroxyphenyl]methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
Molecular FormulaC43H48O16
Molecular Weight820.8
XLogP5.2
Topological Polar Surface Area305
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count16
Rotatable Bond Count14
Heavy Atom Count59
Formal Charge0
Complexity1760
SMILES
CCCC(=O)C1=C(C(=C(C(=C1O)CC2=C(C(C(=O)C(=C2O)C(=O)C)(C)C)O)O)CC3=C(C(=C(C(=C3O)C(=O)CCC)O)CC4=C(C(C(=O)C(=C4O)C(=O)C)(C)C)O)O)O
InChI
InChI=1S/C43H48O16/c1-9-11-24(46)28-32(50)18(30(48)20(34(28)52)14-22-36(54)26(16(3)44)40(58)42(5,6)38(22)56)13-19-31(49)21(35(53)29(33(19)51)25(47)12-10-2)15-23-37(55)27(17(4)45)41(59)43(7,8)39(23)57/h48-57H,9-15H2,1-8H3
InChIKey
PRVKSKWNDSLRBY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,4'-(Methylenebis((5-butanoyl-2,4,6-trihydroxy-3,1-phenylene)methylene))bis(2-acetyl-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one)
CAS: 12777-70-7
CID: 3082025
Formula: C43H48O16
MW: 820.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight820.8
XLogP35.2
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count16
Rotatable Bond Count14
Exact Mass820.29423544
Monoisotopic Mass820.29423544
Topological Polar Surface Area305 Ų
Heavy Atom Count59
Formal Charge0
Complexity1760
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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