Curcumin dimer 1
PubChem CID: 100972288
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| Compound Synonyms | Curcumin dimer 1, CHEBI:187554, (2Z,4E)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-[2-(4-hydroxy-3-methoxyphenyl)-5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-2,3-dihydrouran-3-yl]penta-2,4-dien-1-one |
|---|---|
| Topological Polar Surface Area | 181.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Inchi Key | YOTQIACVMONCAH-QWCKBZOHSA-N |
| Rotatable Bond Count | 14.0 |
| Heavy Atom Count | 54.0 |
| Compound Name | Curcumin dimer 1 |
| Description | Constituent of the rhizomes of Curcuma longa (turmeric). Curcumin dimer 1 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-[2-(4-hydroxy-3-methoxyphenyl)-5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-2,3-dihydrofuran-3-yl]penta-2,4-dien-1-one |
| Total Atom Stereocenter Count | 2.0 |
| Nih Violation | False |
| Total Bond Stereocenter Count | 4.0 |
| Inchi | InChI=1S/C42H38O12/c1-50-36-19-24(6-13-29(36)44)5-12-28(43)23-34(49)41-40(33(48)16-9-25-7-14-30(45)37(20-25)51-2)35(18-10-26-8-15-31(46)38(21-26)52-3)54-42(41)27-11-17-32(47)39(22-27)53-4/h5-23,41-47H,1-4H3/b12-5+,16-9+,18-10+,28-23- |
| Smiles | COC1=C(C=CC(=C1)/C=C/C2=C(C(C(O2)C3=CC(=C(C=C3)O)OC)C(=O)/C=C(/C=C/C4=CC(=C(C=C4)O)OC)\O)C(=O)/C=C/C5=CC(=C(C=C5)O)OC)O |
| Xlogp | 6.7 |
| Is Pains | False |
| Defined Bond Stereocenter Count | 4.0 |
| Molecular Formula | C42H38O12 |
No direct connections found for this phytochemical.