1,7-Bis(4-hydroxyphenyl)-3-hydroxy-1,3-heptadien-5-one
PubChem CID: 10614892
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| Compound Synonyms | 1,7-bis(4-hydroxyphenyl)-3-hydroxy-1,3-heptadien-5-one, 207792-17-4, (4Z,6E)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hepta-4,6-dien-3-one, CHEMBL448759, SCHEMBL13310700, HY-N10158, AKOS032949013, DA-59816, CS-0368422 |
|---|---|
| Topological Polar Surface Area | 77.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 425.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | (4Z,6E)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hepta-4,6-dien-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C19H18O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XLKHKZCPVAHTFN-YLMKKNOUSA-N |
| Fcsp3 | 0.1052631578947368 |
| Logs | -5.211 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.991 |
| Compound Name | 1,7-Bis(4-hydroxyphenyl)-3-hydroxy-1,3-heptadien-5-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 310.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 310.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 310.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -4.1734507565217385 |
| Inchi | InChI=1S/C19H18O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-5,7-11,13,20-22H,6,12H2/b11-5+,18-13- |
| Smiles | C1=CC(=CC=C1CCC(=O)/C=C(/C=C/C2=CC=C(C=C2)O)\O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Blepharocalyx (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all