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Sabialimon P

CAT: 0804-HY-159516Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-159516Size:1 Each
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Description
Sabialimon P (compound 16) is a NO release inhibitor (IC50=18.12 μM) with anti-inflammatory activity. Sabialimon P significantly reduces the secretion of TNF-α, iNOS, IL-6 and NF-κB and inhibits the expression of COX-2 and NF-κB/p65 in RAW264.7 cells induced by LPS.
CAS Number
2267333-96-8
UNSPSC
12352005
Target
COX; Interleukin Related; NF-κB; NO Synthase; TNF Receptor
Type
Reference compound
Related Pathways
Apoptosis; Immunology/Inflammation; NF-κB
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/sabialimon-p.html
Smiles
COC([C@]12[C@](CC(C)(CC2)C)([H])C3=CC[C@@]([C@@]4([C@@](C(C)([C@H](C[C@@H]4O)O)C)([H])CC5)C)([H])[C@]5(C)[C@@]3(CC1)C)=O
Molecular Formula
C31H50O4
Molecular Weight
486.73
References & Citations
[1]Yan Huang, et al. "Oleanane-type triterpenoids from Sabia limoniacea and their anti-inflammatory activities." Bioorganic Chemistry (2024) : 107683.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Sabialimon P
CAS Number2267333-96-8
PubChem CID172420081
IUPAC Namemethyl (4aS,6aS,6aS,6bR,8aS,10S,12S,12aR,14bS)-10,12-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Molecular FormulaC31H50O4
Molecular Weight486.7
XLogP6.8
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count35
Formal Charge0
Complexity934
SMILES
C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)OC)C)([C@H](C[C@@H](C3(C)C)O)O)C
InChI
InChI=1S/C31H50O4/c1-26(2)13-15-31(25(34)35-8)16-14-28(5)19(20(31)18-26)9-10-22-29(28,6)12-11-21-27(3,4)23(32)17-24(33)30(21,22)7/h9,20-24,32-33H,10-18H2,1-8H3/t20-,21-,22-,23-,24-,28+,29+,30-,31-/m0/s1
InChIKey
ZIASEWMYFOYGCD-HRSAWRHFSA-N
Chemical Structure
2D Structure
2D structure of Sabialimon P
CAS: 2267333-96-8
CID: 172420081
Formula: C31H50O4
MW: 486.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight486.7
XLogP36.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass486.37091007
Monoisotopic Mass486.37091007
Topological Polar Surface Area66.8 Ų
Heavy Atom Count35
Formal Charge0
Complexity934
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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