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Thamnosmonin

CAT: 0804-HY-N12548-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N12548-01Size:1 mg
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Description
Thamnosmonin is a coumarin that can be isolated from Sida acuta and Sida rhombifolia. Thamnosmonin has insecticidal activity[1].
CAS Number
60094-90-8
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/thamnosmonin.html
Solubility
10 mM in DMSO
Smiles
O=C1OC2=C(C=C1)C=C(C(C(C(C)=C)O)O)C(OC)=C2
Molecular Formula
C15H16O5
Molecular Weight
276.28
References & Citations
[1]Membe Femoe U, et al. In Vitro Assessment of the Cercaricidal Activity of Sida acuta Burm. F. and Sida rhombifolia Linn. (Malvaceae) Hydroethanolic Extracts, Cytotoxicity, and Phytochemical Studies. Evid Based Complement Alternat Med. 2022 Jan 10;2022:7281144.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Thamnosmonin

Thamnosmonin has been reported in Thamnosma montana and Citrus maxima with data available.

CAS Number60094-90-8
PubChem CID312089
IUPAC Name6-(1,2-dihydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one
Molecular FormulaC15H16O5
Molecular Weight276.28
XLogP1.6
Topological Polar Surface Area76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity416
SMILES
CC(=C)C(C(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)O)O
InChI
InChI=1S/C15H16O5/c1-8(2)14(17)15(18)10-6-9-4-5-13(16)20-11(9)7-12(10)19-3/h4-7,14-15,17-18H,1H2,2-3H3
InChIKey
PMZIJDMODGMWOR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thamnosmonin
CAS: 60094-90-8
CID: 312089
Formula: C15H16O5
MW: 276.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight276.28
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass276.09977361
Monoisotopic Mass276.09977361
Topological Polar Surface Area76 Ų
Heavy Atom Count20
Formal Charge0
Complexity416
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TN5886Thamnosmonin
M3816511-O-β-D-Glucopyranosyl thamnosmonin
MBS582510911-O-beta-D-glucopyranosyl thamnosmonin

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