Cyclomorusin

Chemical Information
Cyclomorusin A is an extended flavonoid that is cyclomulberrin in which the hydroxy group at position 10 has undergone oxidative cyclisation to position 3 of the 3-methylbut-2-en-1-yl substituent, with migration of the double bond into conjugation with the aromatic ring. It is a moderate inhibitor of acetylcholinesterase (IC50 = 16.2 - 36.6 M), and a strong inhibitor of platelet-activating factor (PAF; 1-O-alkyl-2-acetyl-sn-glycero-3-phosphocholine) induced platelet aggregation. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, a platelet aggregation inhibitor, an EC 1.14.18.1 (tyrosinase) inhibitor and a plant metabolite. It is a polyphenol, an organic heteropentacyclic compound, a cyclic ketone and an extended flavonoid. It is functionally related to a cyclomulberrin.
| CAS Number | 62596-34-3 |
| PubChem CID | 5481969 |
| IUPAC Name | 11,19-dihydroxy-7,7-dimethyl-15-(2-methylprop-1-enyl)-2,8,16-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,10,17(22),18,20-octaen-13-one |
| Molecular Formula | C25H22O6 |
| Molecular Weight | 418.4 |
| XLogP | 5.2 |
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 850 |
| Property | Value |
|---|---|
| Molecular Weight | 418.4 |
| XLogP3 | 5.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 418.14163842 |
| Monoisotopic Mass | 418.14163842 |
| Topological Polar Surface Area | 85.2 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 850 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
Alternative Products
| Catalog | Name |
|---|---|
| GTR19181759-01 | Cyclomorusin |
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