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Molecule
Taxifolin
CAS: 480-18-2 · C15H12O7
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 480-18-2
- Molecular Formula
- C15H12O7
- Molecular Mass
- 304.25 g/mol
Identifiers
CAS Registry Number
480-18-2
SMILES
O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O
InChI Key
CXQWRCVTCMQVQX-LSDHHAIUSA-N
InChI
InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1
Names and Synonyms
- Taxifolin Synonym
- 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-, (2R,3R)- Synonym
- 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-, (2R-trans)- Synonym
- Flavanone, 3,3′,4′,5,7-pentahydroxy- Synonym
- (2R,3R)-2-(3,4-Dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-4H-1-benzopyran-4-one Synonym
- Distylin Synonym
- Taxifolin Synonym
- Taxifoliol Synonym
- Dihydroquercetin Synonym
- (+)-Taxifolin Synonym
- (+)-Dihydroquercetin Synonym
- (2R,3R)-Dihydroquercetin Synonym
- 2,3-Dihydroquercetin Synonym
- 3,5,7,3′,4′-Pentahydroxyflavanone Synonym
- Diquertin Synonym
- (2R,3R)-(+)-Taxifolin Synonym
- Lariksin Synonym
- Lavitol Synonym
- (+)-trans-Taxifolin Synonym
- (2R,3R)-3,3′,4′,5,7-Pentahydroxyflavanone Synonym
- Flamena D Synonym
- (+)-(2R,3R)-Dihydroquercetin Synonym
- Flamena Synonym
- Jikuberuchin Synonym
- Flavomix Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 304.25 g/mol | CAS Common Chemistry |
| 304.25399999999996 g/mol | RDKit | |
| 304.254 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Taxifolin | CAS Common Chemistry |
| Canonical SMILES | O=C1C=2C(O)=CC(O)=CC2OC(C3=CC=C(O)C(O)=C3)C1O | CAS Common Chemistry |
| InChI | InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=CXQWRCVTCMQVQX-LSDHHAIUSA-N | CAS Common Chemistry |
| Melting Point | 0.237 °C (approx) | CAS Common Chemistry |
| Name | Taxifolin | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 127.45000000000002 Ų | RDKit |
| 127.45 Ų | RDKit | |
| LogP | 1.1862999999999995 | RDKit |
| 1.1863 | RDKit | |
| Molar Refractivity | 73.24950000000001 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1333 | RDKit |
| 0.13 | chempirical lib | |
| Exact Mass | 304.058302724 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 304.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H12O7.
