(2E)-1-(2,4-Dihydroxy-6-methoxyphenyl)-3-(2,6-dihydroxyphenyl)-2-propen-1-one
PubChem CID: 5321869
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| Compound Synonyms | DTXSID901139265, (2E)-1-(2,4-Dihydroxy-6-methoxyphenyl)-3-(2,6-dihydroxyphenyl)-2-propen-1-one, 92519-97-6 |
|---|---|
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 399.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-(2,6-dihydroxyphenyl)prop-2-en-1-one |
| Prediction Hob | 0.0 |
| Xlogp | 2.8 |
| Molecular Formula | C16H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XFUBPGKNMBCAHX-AATRIKPKSA-N |
| Fcsp3 | 0.0625 |
| Logs | -6.891 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.587 |
| Compound Name | (2E)-1-(2,4-Dihydroxy-6-methoxyphenyl)-3-(2,6-dihydroxyphenyl)-2-propen-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 302.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 302.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 302.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.6114847636363634 |
| Inchi | InChI=1S/C16H14O6/c1-22-15-8-9(17)7-14(21)16(15)13(20)6-5-10-11(18)3-2-4-12(10)19/h2-8,17-19,21H,1H3/b6-5+ |
| Smiles | COC1=CC(=CC(=C1C(=O)/C=C/C2=C(C=CC=C2O)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Scutellaria Baicalensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Swertia Calycina (Plant) Rel Props:Source_db:cmaup_ingredients