(E)-1-(2,6-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
PubChem CID: 12883590
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| Compound Synonyms | SCHEMBL11346790 |
|---|---|
| Topological Polar Surface Area | 77.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 321.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-1-(2,6-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Is Pains | False |
| Molecular Formula | C15H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RRDVFNRGHCRJJQ-RMKNXTFCSA-N |
| Fcsp3 | 0.0 |
| Rotatable Bond Count | 3.0 |
| Compound Name | (E)-1-(2,6-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 256.074 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 256.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 256.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.7015618210526315 |
| Inchi | InChI=1S/C15H12O4/c16-11-7-4-10(5-8-11)6-9-14(19)15-12(17)2-1-3-13(15)18/h1-9,16-18H/b9-6+ |
| Smiles | C1=CC(=C(C(=C1)O)C(=O)/C=C/C2=CC=C(C=C2)O)O |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Sophora Flavescens (Plant) Rel Props:Source_db:cmaup_ingredients