Andrographolide

Chemical Information
Andrographolide is a labdane diterpenoid isolated from the leaves and roots of Andrographis paniculata that exhibits anti-HIV, anti-inflammatory and antineoplastic properties. It has a role as a metabolite, an anti-inflammatory drug, an antineoplastic agent and an anti-HIV agent. It is a primary alcohol, a secondary alcohol, a labdane diterpenoid, a carbobicyclic compound and a gamma-lactone.
| CAS Number | 5508-58-7 |
| PubChem CID | 5318517 |
| IUPAC Name | (3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one |
| Molecular Formula | C20H30O5 |
| Molecular Weight | 350.4 |
| XLogP | 2.2 |
| Topological Polar Surface Area | 87 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 597 |
| Property | Value |
|---|---|
| Molecular Weight | 350.4 |
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 350.20932405 |
| Monoisotopic Mass | 350.20932405 |
| Topological Polar Surface Area | 87 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 597 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 6 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
Related Products
| Catalog | Name |
|---|---|
| GTR19182080 | Andrographiside |
Alternative Products
| Catalog | Name |
|---|---|
| FA17902-01 | Andrographolide |
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