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7-O-Methylrutin

CAT: 0931-T125008-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T125008-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
34202-83-0
Target
Reductase
Related Pathways
Metabolism, Endocrinology/Hormones
Purity
0.9993
Bioactivity
7-O-Methylrutin is a natural product exhibiting inhibitory activity against aldose reductase 1 (IC50=21 μM) .
Smiles
O(C1=C(OC=2C(C1=O)=C(O)C=C(OC)C2)C3=CC(O)=C(O)C=C3)[C@@H]4O[C@H](CO[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)[C@@H](O)[C@H](O)[C@H]4O
Molecular Formula
C28H32O16
Molecular Weight
624.55
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Rhamnetin 3-O-rutinoside

rhamnetin-3-rutinoside has been reported in Phragmites australis with data available.

CAS Number34202-83-0
PubChem CID10326596
IUPAC Name2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Molecular FormulaC28H32O16
Molecular Weight624.5
XLogP-1
Topological Polar Surface Area255
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count16
Rotatable Bond Count7
Heavy Atom Count44
Formal Charge0
Complexity1040
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OC)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O
InChI
InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-14(31)6-11(39-2)7-15(17)42-25(26)10-3-4-12(29)13(30)5-10/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1
InChIKey
LVRWOUXRNRBDNV-GEBJFKNCSA-N
Chemical Structure
2D Structure
2D structure of Rhamnetin 3-O-rutinoside
CAS: 34202-83-0
CID: 10326596
Formula: C28H32O16
MW: 624.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight624.5
XLogP3-1
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count16
Rotatable Bond Count7
Exact Mass624.16903493
Monoisotopic Mass624.16903493
Topological Polar Surface Area255 Ų
Heavy Atom Count44
Formal Charge0
Complexity1040
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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