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Rutarin

CAT: 0931-T34454-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T34454-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20320-81-4
Target
Others
Related Pathways
Others
Bioactivity
Rutarin is a coumarin.
Smiles
CC(C)(O)C1Cc2cc3ccc(=O)oc3c(OC3OC(CO)C(O)C(O)C3O)c2O1
Molecular Formula
C20H24O10
Molecular Weight
424.402
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Rutarin

Rutarin is a monosaccharide derivative that is beta-D-glucopyranose in which the hydroxy group at position 1 is substituted by a [(2S)-2-(2-hydroxypropan-2-yl)-7-oxo-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-9-yl]oxy group. It is a natural product found in several plant species including Ruta graveolens and Citropsis articulata. It has a role as an antibacterial agent, an antiplasmodial drug and a plant metabolite. It is a beta-D-glucoside, a member of psoralens and a monosaccharide derivative.

CAS Number20320-81-4
PubChem CID442149
IUPAC Name(2S)-2-(2-hydroxypropan-2-yl)-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrofuro[3,2-g]chromen-7-one
Molecular FormulaC20H24O10
Molecular Weight424.4
XLogP-0.2
Topological Polar Surface Area155
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity680
SMILES
CC(C)([C@@H]1CC2=C(O1)C(=C3C(=C2)C=CC(=O)O3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
InChI
InChI=1S/C20H24O10/c1-20(2,26)11-6-9-5-8-3-4-12(22)29-16(8)18(17(9)28-11)30-19-15(25)14(24)13(23)10(7-21)27-19/h3-5,10-11,13-15,19,21,23-26H,6-7H2,1-2H3/t10-,11+,13-,14+,15-,19+/m1/s1
InChIKey
JWWFVRMFYKPZNE-VVIWCBLHSA-N
Chemical Structure
2D Structure
2D structure of Rutarin
CAS: 20320-81-4
CID: 442149
Formula: C20H24O10
MW: 424.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.4
XLogP3-0.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass424.13694696
Monoisotopic Mass424.13694696
Topological Polar Surface Area155 Ų
Heavy Atom Count30
Formal Charge0
Complexity680
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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