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Mearnsitrin

CAT: 0804-HY-N3309-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N3309-02Size:5 mg
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Description
Mearnsitrin (compound 8) is a flavonol that can be isolated from methanolic extract Myrcia multiflora DC[1].
CAS Number
30484-88-9
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/mearnsitrin.html
Solubility
10 mM in DMSO
Smiles
O=C1C(O[C@H]2[C@@H]([C@@H]([C@@H](O)[C@H](C)O2)O)O)=C(C3=CC(O)=C(OC)C(O)=C3)OC4=CC(O)=CC(O)=C41
Molecular Formula
C22H22O12
Molecular Weight
478.40
References & Citations
[1]M Yoshikawa, et al. Antidiabetic principles of natural medicines. II. Aldose reductase and alpha-glucosidase inhibitors from Brazilian natural medicine, the leaves of Myrcia multiflora DC. (Myrtaceae) : structures of myrciacitrins I and II and myrciaphenones A and B. Chem Pharm Bull (Tokyo) . 1998, 46, 1.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Mearnsitrin

Mearnsitrin is a glycoside and a member of flavonoids.

CAS Number30484-88-9
PubChem CID6918652
IUPAC Name2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Molecular FormulaC22H22O12
Molecular Weight478.4
XLogP0.8
Topological Polar Surface Area196
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity776
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)OC)O)O)O)O
InChI
InChI=1S/C22H22O12/c1-7-15(27)17(29)18(30)22(32-7)34-21-16(28)14-10(24)5-9(23)6-13(14)33-19(21)8-3-11(25)20(31-2)12(26)4-8/h3-7,15,17-18,22-27,29-30H,1-2H3/t7-,15-,17+,18+,22-/m0/s1
InChIKey
NAQNISJXKDSYJD-DHWIRCOFSA-N
Chemical Structure
2D Structure
2D structure of Mearnsitrin
CAS: 30484-88-9
CID: 6918652
Formula: C22H22O12
MW: 478.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight478.4
XLogP30.8
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Exact Mass478.11112613
Monoisotopic Mass478.11112613
Topological Polar Surface Area196 Ų
Heavy Atom Count34
Formal Charge0
Complexity776
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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