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Curcumin
CAS: 458-37-7 | C21H20O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
458-37-7
Molecular Formula:
C21H20O6
Molecular Weight:
368.3850000000001 g/mol
Names and Synonyms:
Curcumin
Common Name
Biocurcumax
Synonym
Theracurmin
Synonym
NanoCurc
Synonym
Colorant E 100
Synonym
Curcumin W
Synonym
Jianghuangsu
Synonym
(E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione
Synonym
NSC 32982
Synonym
San-Ei Gen Curcumine AL
Synonym
San-Ei Curcumine AL
Synonym
Curcumine
Synonym
Curcumin I
Synonym
Ukon
Synonym
Ukon (dye)
Synonym
C Yellow 15
Synonym
Natural Yellow 3
Synonym
Turmeric
Synonym
Turmeric (dye)
Synonym
trans,trans-Curcumin
Synonym
E 100
Synonym
E 100 (dye)
Synonym
Diferuloylmethane
Synonym
(E,E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione
Synonym
Yo-Kin
Synonym
Yellow Root
Synonym
Yellow Ginger
Synonym
Turmeric yellow
Synonym
Terra Merita
Synonym
Souchet
Synonym
Merita Earth
Synonym
Kacha Haldi
Synonym
Indian Saffron
Synonym
Halud
Synonym
Haldar
Synonym
Halad
Synonym
Haidr
Synonym
Curcuma
Synonym
C.I. Natural Yellow 3
Synonym
C.I. 75300
Synonym
(1E,6E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione
Synonym
1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, (E,E)-
Synonym
Curcumin
Synonym
1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, (1E,6E)-
Synonym
Curcuma yellow
Synonym
(E,E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadien-3,5-dione
Synonym
Theracurmin CR 011L
Synonym
Kiriyasu Oil Yellow U
Synonym
Curcumax
Synonym
Longvida
Synonym
Cureit
Synonym
Vacurin
Synonym
Natxtra
Synonym
Lipocurc
Synonym
INS 100i
Synonym
BR 213
Synonym
Identifiers:
SMILES:
COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O
InChI:
InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 368.3850000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 368.12598835999995 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 27 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 6 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 8 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 93.06000000000002 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 3.3699000000000026 | RDKit |
| molecular_mass | 368.39 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Curcumin None | Legacy Database |
| cas-canonical-smile | O=C(C=CC1=CC=C(O)C(OC)=C1)CC(=O)C=CC2=CC=C(O)C(OC)=C2 None | Legacy Database |
| cas-inchi | InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+ None | Legacy Database |
| cas-inchi-key | InChIKey=VFLDPWHFBUODDF-FCXRPNKRSA-N None | Legacy Database |
| cas-melting-point | 183 °C None | Legacy Database |
| cas-name | Curcumin None | Legacy Database |
| wikipedia-name | Curcumin None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 102.01660000000001 | RDKit |