490-54-0,MFCD00017413
Catalog No.:AA00D8ML

490-54-0 | MARITIMEIN

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
4 weeks  
$367.00   $257.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00D8ML
Chemical Name:
MARITIMEIN
CAS Number:
490-54-0
Molecular Formula:
C21H20O11
Molecular Weight:
448.3769
MDL Number:
MFCD00017413
SMILES:
OC[C@H]1O[C@@H](Oc2ccc3c(c2O)O/C(=C\c2ccc(c(c2)O)O)/C3=O)[C@@H]([C@H]([C@@H]1O)O)O
Properties
Computed Properties
 
Complexity:
714  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
1  
Formal Charge:
0  
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
7  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.4  

Literature

Title: Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine.

Journal: Bioorganic & medicinal chemistry 20121115

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SDS
Tags:490-54-0 Molecular Formula|490-54-0 MDL|490-54-0 SMILES|490-54-0 MARITIMEIN
Catalog No.: AA00D8ML
490-54-0,MFCD00017413
490-54-0 | MARITIMEIN
Pack Size: 1mg
Purity:
4 weeks
$367.00 $257.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA00D8ML
Chemical Name: MARITIMEIN
CAS Number: 490-54-0
Molecular Formula: C21H20O11
Molecular Weight: 448.3769
MDL Number: MFCD00017413
SMILES: OC[C@H]1O[C@@H](Oc2ccc3c(c2O)O/C(=C\c2ccc(c(c2)O)O)/C3=O)[C@@H]([C@H]([C@@H]1O)O)O
Properties
Complexity: 714  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 5  
Defined Bond Stereocenter Count: 1  
Formal Charge: 0  
Heavy Atom Count: 32  
Hydrogen Bond Acceptor Count: 11  
Hydrogen Bond Donor Count: 7  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.4  
Literature fold

Title: Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine.

Journal: Bioorganic & medicinal chemistry20121115

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