Loureirin D
PubChem CID: 13939318
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Loureirin D, 119425-91-1, 3-(2,4-dihydroxy-6-methoxyphenyl)-1-(4-hydroxyphenyl)propan-1-one, 1-Propanone, 3-(2,4-dihydroxy-6-methoxyphenyl)-1-(4-hydroxyphenyl)-, CHEMBL400281, SCHEMBL7196083, DTXSID401168110, HY-N8189, LMPK12120603, ZB1868, AKOS040760779, FS-7893, AC-34410, DA-75088, CS-0140286, E88776, 3-(2,4-dihydroxy-6-methoxyphenyl)-1-(4-hydroxyphenyl)-1-propanone |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 338.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(2,4-dihydroxy-6-methoxyphenyl)-1-(4-hydroxyphenyl)propan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C16H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AQMBVNGTZRFEPF-UHFFFAOYSA-N |
| Fcsp3 | 0.1875 |
| Logs | -3.103 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.577 |
| Compound Name | Loureirin D |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 288.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 288.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2323109428571426 |
| Inchi | InChI=1S/C16H16O5/c1-21-16-9-12(18)8-15(20)13(16)6-7-14(19)10-2-4-11(17)5-3-10/h2-5,8-9,17-18,20H,6-7H2,1H3 |
| Smiles | COC1=CC(=CC(=C1CCC(=O)C2=CC=C(C=C2)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dracaena Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all