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6-O-Methylcatalpol

CAT: 0804-HY-N10547Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N10547Size:1 mg
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Description
6-O-Methylcatalpol can be isolated from the roots of Scrophularia ningpoensis. 6-O-Methylcatalpol has anti-protozoal activity against Trypanosoma b. rhodesiense and Leishmania donovani (IC50: 32.5 and 8.3 μg/mL) [1][2].
CAS Number
1617-84-1
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Parasite
Type
Natural Products
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/6-o-methylcatalpol.html
Solubility
10 mM in DMSO
Smiles
OC[C@]1([C@@]2([H])O1)[C@]([C@@H]3O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]([C@H]4O)CO)([H])[C@](C=CO3)([H])[C@@H]2OC
Molecular Formula
C16H24O10
Molecular Weight
376.36
Precautions
H302, H315, H319, H335
References & Citations
[1]Niu ZR, et al. A new iridoid glycoside from Scrophularia ningpoensis. Nat Prod Res. 2009;23 (13) :1181-8.|[2]Tasdemir D, et al. Anti-protozoal and plasmodial FabI enzyme inhibiting metabolites of Scrophularia lepidota roots. Phytochemistry. 2005 Feb;66 (3) :355-62.
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

Methylcatalpol

6-O-methylcatalpol has been reported in Oreosolen wattii, Scrophularia umbrosa, and other organisms with data available.

CAS Number1617-84-1
PubChem CID53248734
IUPAC Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-5-methoxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]oxane-3,4,5-triol
Molecular FormulaC16H24O10
Molecular Weight376.36
XLogP-2.7
Topological Polar Surface Area151
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity557
SMILES
CO[C@H]1[C@@H]2C=CO[C@H]([C@@H]2[C@@]3([C@H]1O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C16H24O10/c1-22-12-6-2-3-23-14(8(6)16(5-18)13(12)26-16)25-15-11(21)10(20)9(19)7(4-17)24-15/h2-3,6-15,17-21H,4-5H2,1H3/t6-,7-,8-,9-,10+,11-,12+,13+,14+,15+,16-/m1/s1
InChIKey
CQHVYUDLQLYNAI-GSKJLTDHSA-N
Chemical Structure
2D Structure
2D structure of Methylcatalpol
CAS: 1617-84-1
CID: 53248734
Formula: C16H24O10
MW: 376.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight376.36
XLogP3-2.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass376.13694696
Monoisotopic Mass376.13694696
Topological Polar Surface Area151 Ų
Heavy Atom Count26
Formal Charge0
Complexity557
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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