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Tamarixin

CAT: 0013-GTR19180183-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19180183-02Size:5 mg
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Description
Tamarixin (CAS 27542-39-8) is a natural flavonoid used in life science research. It is applied in studies investigating inflammation and immune responses, with utility in both in vitro cellular assays and in vivo experimental models.
CAS Number
27542-39-8
Field of Research
Infectious Disease & Virology
Purity
99.90% (May vary between batches)
Smiles
O (C1=C (OC=2C (C1=O) =C (O) C=C (O) C2) C3=CC (O) =C (OC) C=C3) [C@@H]4O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]4O
Molecular Formula
C22H22O12
Molecular Weight
478.40
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-one

5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one has been reported in Calendula officinalis, Primula daonensis, and other organisms with data available.

CAS Number27542-39-8
PubChem CID12443210
IUPAC Name5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Molecular FormulaC22H22O12
Molecular Weight478.4
XLogP0.7
Topological Polar Surface Area196
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity773
SMILES
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
InChI
InChI=1S/C22H22O12/c1-31-12-3-2-8(4-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1
InChIKey
JXASPPWQHFOWPL-LFXZADKFSA-N
Chemical Structure
2D Structure
2D structure of 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-one
CAS: 27542-39-8
CID: 12443210
Formula: C22H22O12
MW: 478.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight478.4
XLogP30.7
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Exact Mass478.11112613
Monoisotopic Mass478.11112613
Topological Polar Surface Area196 Ų
Heavy Atom Count34
Formal Charge0
Complexity773
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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