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Secologanoside

CAT: 0804-HY-N6876-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N6876-01Size:1 mg
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Description
Secologanoside is a triterpenoid isolated from Poraqueiba sericea, weakly inhibits elastase with an IC50 of 164 μg/mL. Secologanoside is moderate cytotoxic to fibroblasts[1].
CAS Number
59472-23-0
UNSPSC
12352005
Hazard Statement
H302, H315, H319
Target
Elastase
Type
Natural Products
Related Pathways
Metabolic Enzyme/Protease
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/secologanoside.html
Purity
99.0
Smiles
C=C[C@H]([C@@H](C(C(O)=O)=CO1)CC(O)=O)[C@]1([H])O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO
Molecular Formula
C16H22O11
Molecular Weight
390.34
Precautions
H302, H315, H319
References & Citations
[1]Zebiri I, et al. Biological activities of triterpenoids from Poraqueiba sericea stems. Nat Prod Res. 2017 Jun;31 (11) :1333-1338.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Secologanoside

Secologanoside has been reported in Alangium salviifolium, Tripterospermum japonicum, and other organisms with data available.

CAS Number59472-23-0
PubChem CID14136854
IUPAC Name(2S,3R,4S)-4-(carboxymethyl)-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid
Molecular FormulaC16H22O11
Molecular Weight390.34
XLogP-1.9
Topological Polar Surface Area183
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity603
SMILES
C=C[C@@H]1[C@@H](C(=CO[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)O)CC(=O)O
InChI
InChI=1S/C16H22O11/c1-2-6-7(3-10(18)19)8(14(23)24)5-25-15(6)27-16-13(22)12(21)11(20)9(4-17)26-16/h2,5-7,9,11-13,15-17,20-22H,1,3-4H2,(H,18,19)(H,23,24)/t6-,7+,9-,11-,12+,13-,15+,16+/m1/s1
InChIKey
RGTONEMDTVVDMY-GRTPNEQMSA-N
Chemical Structure
2D Structure
2D structure of Secologanoside
CAS: 59472-23-0
CID: 14136854
Formula: C16H22O11
MW: 390.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.34
XLogP3-1.9
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass390.11621151
Monoisotopic Mass390.11621151
Topological Polar Surface Area183 Ų
Heavy Atom Count27
Formal Charge0
Complexity603
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA7399-5Secologanoside
TN8572-01Secologanoside 7-Methyl Ester

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