Back to Search
Myricetin
CAS: 529-44-2 | C15H10O8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
529-44-2
Molecular Formula:
C15H10O8
Molecular Mass:
318.24 g/mol
Names and Synonyms:
Myricetin
4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-
Flavone, 3,3′,4′,5,5′,7-hexahydroxy-
3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one
Cannabiscetin
3,5,7,3′,4′,5′-Hexahydroxyflavone
Myricetin
Myricetol
3,3′,4′,5,5′,7-Hexahydroxyflavone
NSC 407290
LDN 0014058
NCBI 5281672
3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one
Identifiers:
SMILES:
O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12
InChI:
InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
Key Properties
Melting Point
357 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 318.24 g/mol | CAS Common Chemistry |
| 318.237 g/mol | RDKit | |
| 318.03756727999996 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Myricetin | CAS Common Chemistry |
| Canonical SMILES | O=C1C(O)=C(OC=2C=C(O)C=C(O)C12)C=3C=C(O)C(O)=C(O)C3 | CAS Common Chemistry |
| InChI | InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | CAS Common Chemistry |
| InChI Key | InChIKey=IKMDFBPHZNJCSN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 357 °C | CAS Common Chemistry |
| Name | Myricetin | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 151.59 Ų | RDKit |
| LogP | 1.6935999999999998 | RDKit |
| Molar Refractivity | 77.90879999999999 | RDKit |
