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14-Deoxyandrographolide

CAT: 0931-T8288-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T8288-01Size:1 mg
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CAS Number
4176-97-0
Target
Apoptosis, Calcium Channel
Related Pathways
Apoptosis, Metabolism, Membrane transporter/Ion channel
Purity
0.9998
Bioactivity
14-Deoxyandrographolide is a bioactive compound of Andrographis paniculata with hepatoprotective efficacy. It desensitizes hepatocytes to TNF-α-mediated apoptosis through the release of TNFRSF1A release.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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Alternative Products

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TRC-D271610-100MG14-Deoxyandrographolide
HY-N4323R14-Deoxyandrographolide (Standard)
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