Curcumin dimer 3
PubChem CID: 131752651
Connections displayed (default: 10).
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| Compound Synonyms | Curcumin dimer 3 |
|---|---|
| Topological Polar Surface Area | 181.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Inchi Key | HJALWSMTAVUJGY-JBZHRJFQSA-N |
| Rotatable Bond Count | 13.0 |
| Heavy Atom Count | 54.0 |
| Compound Name | Curcumin dimer 3 |
| Description | Constituent of the rhizomes of Curcuma longa (turmeric). Curcumin dimer 3 is found in herbs and spices. |
| Exact Mass | 734.236 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 734.236 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1420.0 |
| Hydrogen Bond Acceptor Count | 12.0 |
| Molecular Weight | 734.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2Z,4E)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-[(4E,5Z)-2-(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-[(E)-4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-enylidene]oxolan-3-yl]penta-2,4-dien-1-one |
| Total Atom Stereocenter Count | 2.0 |
| Nih Violation | False |
| Total Bond Stereocenter Count | 5.0 |
| Inchi | InChI=1S/C42H38O12/c1-50-37-18-24(7-13-31(37)45)5-11-28(43)22-35(49)41-30(17-26-9-15-33(47)39(20-26)52-3)36(54-42(41)27-10-16-34(48)40(21-27)53-4)23-29(44)12-6-25-8-14-32(46)38(19-25)51-2/h5-23,41-43,45-48H,1-4H3/b11-5+,12-6+,28-22-,30-17-,36-23- |
| Smiles | COC1=C(C=CC(=C1)/C=C/C(=O)/C=C\2/C(=C/C3=CC(=C(C=C3)O)OC)/C(C(O2)C4=CC(=C(C=C4)O)OC)C(=O)/C=C(/C=C/C5=CC(=C(C=C5)O)OC)\O)O |
| Xlogp | 6.3 |
| Is Pains | False |
| Defined Bond Stereocenter Count | 5.0 |
| Molecular Formula | C42H38O12 |
No direct connections found for this phytochemical.