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Sakuranetin
CAS: 2957-21-3 | C16H14O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2957-21-3
Molecular Formula:
C16H14O5
Molecular Mass:
286.28 g/mol
Names and Synonyms:
Sakuranetin
4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-, (2S)-
Flavanone, 4′,5-dihydroxy-7-methoxy-, (S)-(-)-
Sakuranetin
4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-, (S)-
(2S)-2,3-Dihydro-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
(S)-4′,5-Dihydroxy-7-methoxyflavanone
Naringenin 7-methyl ether
Naringenin 7-O-methyl ether
7-O-Methylnaringenin
(-)-(S)-Sakuranetin
5,4′-Dihydroxy-7-methoxyflavanone
Identifiers:
SMILES:
COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O
InChI:
InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1
Key Properties
Melting Point
152 °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 | 286.28 g/mol | CAS Common Chemistry |
| 286.2830000000001 g/mol | RDKit | |
| 286.084123548 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sakuranetin | CAS Common Chemistry |
| Canonical SMILES | O=C1C=2C(O)=CC(OC)=CC2OC(C3=CC=C(O)C=C3)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=DJOJDHGQRNZXQQ-AWEZNQCLSA-N | CAS Common Chemistry |
| Melting Point | 152 °C | CAS Common Chemistry |
| Name | Sakuranetin | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 75.99000000000001 Ų | RDKit |
| LogP | 2.8129 | RDKit |
| Molar Refractivity | 75.08210000000003 | RDKit |
