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14-Deoxyandrographolide

CAT: 0013-GTR19167144-03Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19167144-03Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
14-Deoxyandrographolide, a hepatoprotective diterpenoid from Andrographis paniculata, inhibits TNF-α-induced hepatocyte apoptosis by promoting TNFRSF1A release. This mechanism supports its application in researching liver injury models, both in vitro and in vivo, for studying inflammatory apoptosis pathways.
CAS Number
4176-97-0
Product Name Alternative
14Deoxyandrographolide, 14-Deoxyandrographolide, 14 Deoxyandrographolide, Apoptosis, Ca channels, Calcium Channel, Ca2+ channels, bovine neutrophils, inhibit, Inhibitor, rat, platelet activating factor, uterine smooth muscle
Field of Research
Cell Biology, Metabolism Research, Pharmacology & Drug Discovery
Purity
99.89% (May vary between batches)
Solubility
DMSO:3.35 mg/mL (10.02 mM)
Smiles
[H][C@]12CCC (=C) [C@@H] (CCC3=CCOC3=O) [C@]1 (C) CC[C@@H] (O) [C@@]2 (C) CO
Molecular Formula
C20H30O4
Molecular Weight
334.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Deoxyandrographolide

14-Deoxyandrographolide is a diterpene lactone.

CAS Number4176-97-0
PubChem CID11624161
IUPAC Name4-[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]ethyl]-2H-furan-5-one
Molecular FormulaC20H30O4
Molecular Weight334.4
XLogP3.4
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity566
SMILES
C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2CCC3=CCOC3=O)(C)CO)O
InChI
InChI=1S/C20H30O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h9,15-17,21-22H,1,4-8,10-12H2,2-3H3/t15-,16+,17-,19+,20+/m1/s1
InChIKey
GVRNTWSGBWPJGS-YSDSKTICSA-N
Chemical Structure
2D Structure
2D structure of Deoxyandrographolide
CAS: 4176-97-0
CID: 11624161
Formula: C20H30O4
MW: 334.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.4
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass334.21440943
Monoisotopic Mass334.21440943
Topological Polar Surface Area66.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity566
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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