(2E,4E,6E)-1,7-bis(4-hydroxyphenyl)hepta-2,4,6-trien-1-one
PubChem CID: 11277770
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| Compound Synonyms | 1,7-bis-(4-hydroxyphenyl)-2,4,6-heptatrienone, CHEBI:65503, (2E,4E,6E)-1,7-bis(4-hydroxyphenyl)hepta-2,4,6-trien-1-one, CHEMBL463329, Q27133943 |
|---|---|
| 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;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | (2E,4E,6E)-1,7-bis(4-hydroxyphenyl)hepta-2,4,6-trien-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C19H16O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WRCGSWXFJPRBPO-CRQXNEITSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.595 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.477 |
| Compound Name | (2E,4E,6E)-1,7-bis(4-hydroxyphenyl)hepta-2,4,6-trien-1-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 | -4.416207163636363 |
| Inchi | InChI=1S/C19H16O3/c20-17-11-7-15(8-12-17)5-3-1-2-4-6-19(22)16-9-13-18(21)14-10-16/h1-14,20-21H/b2-1+,5-3+,6-4+ |
| Smiles | C1=CC(=CC=C1/C=C/C=C/C=C/C(=O)C2=CC=C(C=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Etlingera Elatior (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all