(1E,4E,6E)-1,7-bis(4-hydroxyphenyl)hepta-1,4,6-trien-3-one
PubChem CID: 10447050
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| Compound Synonyms | 149732-52-5, (1E,4E,6E)-1,7-bis(4-hydroxyphenyl)hepta-1,4,6-trien-3-one, 1,7-bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one, 1,4,6-Heptatrien-3-one, 1,7-bis(4-hydroxyphenyl)-, (1E,4E,6E)-, 1,7-BIS(4-HYDROXYPHENYL)HEPTA-1,4,6-TRIEN-3-ONE, CHEBI:65502, 1,7-bis (4-hydroxyphenyl)-1,4,6-heptatrien-3-one, CHEMBL469419, SCHEMBL3220874, BDBM246499, DTXSID101045759, HY-N11902, AKOS040763284, DA-69414, CS-0889645, G89064, (E,E,E)-1,7-Bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one, (1E,4E,6E)-1,7-bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one (19) |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 420.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (1E,4E,6E)-1,7-bis(4-hydroxyphenyl)hepta-1,4,6-trien-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C19H16O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PALMCMYYFAHUGA-BPTNNVFMSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.549 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.631 |
| Compound Name | (1E,4E,6E)-1,7-bis(4-hydroxyphenyl)hepta-1,4,6-trien-3-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 292.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 292.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 292.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -4.277607163636363 |
| Inchi | InChI=1S/C19H16O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1-14,21-22H/b3-1+,4-2+,10-7+ |
| Smiles | C1=CC(=CC=C1/C=C/C=C/C(=O)/C=C/C2=CC=C(C=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Dioscorea Opposita (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Etlingera Elatior (Plant) Rel Props:Source_db:cmaup_ingredients