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Andropanolide

CAT: 0931-TQ0073-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TQ0073-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
869807-57-8
Target
Parasite, HIV Protease, NO Synthase
Related Pathways
Proteases/Proteasome, Microbiology/Virology, Immunology/Inflammation
Purity
0.989
Bioactivity
Andropanolide is a dipterocarbon from Andrographis paniculata with anti-HIV, antimalarial and anticancer activities and inhibits Lipopolysaccharides (LPS) -stimulated overproduction of nitric oxide (NO) in RAW264.7 macrophages.
Smiles
[H][C@]12CCC(=C)[C@@H](C\C=C3\[C@H](O)COC3=O)[C@]1(C)CC[C@@H](O)[C@@]2(C)CO
Molecular Formula
C20H30O5
Molecular Weight
350.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Andropanolide

(3Z,4S)-3-{2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl]ethylidene}-4-hydroxyoxolan-2-one has been reported in Andrographis paniculata with data available.

CAS Number869807-57-8
PubChem CID7067324
IUPAC Name(3Z,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 FormulaC20H30O5
Molecular Weight350.4
XLogP2.2
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity597
SMILES
C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2C/C=C\3/[C@@H](COC3=O)O)(C)CO)O
InChI
InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5-/t14-,15-,16+,17-,19+,20+/m1/s1
InChIKey
BOJKULTULYSRAS-QPSYGYIJSA-N
Chemical Structure
2D Structure
2D structure of Andropanolide
CAS: 869807-57-8
CID: 7067324
Formula: C20H30O5
MW: 350.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight350.4
XLogP32.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass350.20932405
Monoisotopic Mass350.20932405
Topological Polar Surface Area87 Ų
Heavy Atom Count25
Formal Charge0
Complexity597
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TN1381Andropanoside

Alternative Products

CatalogName
BUP21152-01Andropanolide

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