1,7-Bis(4-hydroxyphenyl)-5-hydroxy-4,6-hepadien-3-one
PubChem CID: 157010059
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| Compound Synonyms | 1,7-bis(4-hydroxyphenyl)-5-hydroxy-4,6-hepadien-3-one |
|---|---|
| Topological Polar Surface Area | 152.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Inchi Key | MVZDRCCZQFBTNS-VUNFZNKKSA-N |
| Rotatable Bond Count | 13.0 |
| Synonyms | 1,7-Bis(4-hydroxyphenyl)-1-heptene-3,5-dione, 1,7-Bis(4-hydroxyphenyl)-5-hydroxy-4,6-hepadien-3-one |
| Heavy Atom Count | 46.0 |
| Compound Name | 1,7-Bis(4-hydroxyphenyl)-5-hydroxy-4,6-hepadien-3-one |
| Description | 1,7-bis(4-hydroxyphenyl)-5-hydroxy-4,6-hepadien-3-one can be found in turmeric, which makes 1,7-bis(4-hydroxyphenyl)-5-hydroxy-4,6-hepadien-3-one a potential biomarker for the consumption of this food product. |
| Exact Mass | 620.241 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 620.241 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 838.0 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 620.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 2.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-1,7-bis(4-hydroxyphenyl)hept-1-ene-3,5-dione, (4Z,6E)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hepta-4,6-dien-3-one |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Inchi | InChI=1S/2C19H18O4/c2*20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-5,7-11,20-21H,6,12-13H2, 1-5,7-11,13,20-22H,6,12H2/b11-5+, 11-5+,18-13- |
| Smiles | C1=CC(=CC=C1CCC(=O)CC(=O)/C=C/C2=CC=C(C=C2)O)O.C1=CC(=CC=C1CCC(=O)/C=C(/C=C/C2=CC=C(C=C2)O)\O)O |
| Defined Bond Stereocenter Count | 3.0 |
| Molecular Formula | C38H36O8 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:fooddb_chem_all