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Molecule
Luteolin
CAS: 491-70-3 · C15H10O6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 491-70-3
- Molecular Formula
- C15H10O6
- Molecular Mass
- 286.24 g/mol
Identifiers
CAS Registry Number
491-70-3
SMILES
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
InChI Key
IQPNAANSBPBGFQ-UHFFFAOYSA-N
InChI
InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
Names and Synonyms
- Luteolin Synonym
- 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy- Synonym
- Luteolin Synonym
- Flavone, 3′,4′,5,7-tetrahydroxy- Synonym
- 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one Synonym
- Luteoline Synonym
- Luteolol Synonym
- 3′,4′,5,7-Tetrahydroxyflavone Synonym
- Yama Kariyasu Synonym
- Digitoflavone Synonym
- Cyanidenon 1470 Synonym
- Flacitran Synonym
- 5,7,3′,4′-Tetrahydroxyflavone Synonym
- Weld lake Synonym
- Cyanidenon Synonym
- 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4H-benzopyran-4-one Synonym
- Salifazide Synonym
- ST 024703 Synonym
- 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one Synonym
- 2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-chromen-4-one Synonym
- 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxychromen-4-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 286.24 g/mol | CAS Common Chemistry |
| 286.23900000000003 g/mol | RDKit | |
| 286.239 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Luteolin | CAS Common Chemistry |
| Canonical SMILES | O=C1C=C(OC=2C=C(O)C=C(O)C12)C=3C=CC(O)=C(O)C3 | CAS Common Chemistry |
| InChI | InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H | CAS Common Chemistry |
| InChI Key | InChIKey=IQPNAANSBPBGFQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 329.5 °C (decomp) | CAS Common Chemistry |
| Name | Luteolin | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 111.13000000000001 Ų | RDKit |
| 111.13 Ų | RDKit | |
| 107.22 Ų | chempirical lib | |
| LogP | 2.2824000000000004 | RDKit |
| 2.2824 | RDKit | |
| Molar Refractivity | 74.5792 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 286.04773804 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 286.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H10O6.
