(5R)-5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenylheptan-3-one
PubChem CID: 155165
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 68622-73-1, Antiviral agent 41, (5R)-5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenylheptan-3-one, CHEMBL595314, CHEBI:66027, (5R)-5-hydroxy-7-(4''-hydroxy-3''-methoxyphenyl)-1-phenyl-3-heptanone, 3-Heptanone, 5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-, (5R)-, (R)-5-Hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenylheptan-3-one, DTXSID70988306, BDBM50304069, HY-N12362, 3-Heptanone, 5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-, (R)-, AKOS040763409, DA-69189, CS-0899021, Q27134530, 5r-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-3-heptanone, (R)-5-Hydroxy-7-(4-hydroxy- 3-methoxyphenyl)-1-phenylheptan-3-one |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 365.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (5R)-5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenylheptan-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C20H24O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JHJPDDBIHSFERA-GOSISDBHSA-N |
| Fcsp3 | 0.35 |
| Logs | -3.87 |
| Rotatable Bond Count | 9.0 |
| Logd | 2.685 |
| Compound Name | (5R)-5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenylheptan-3-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 328.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 328.167 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 328.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5925296000000007 |
| Inchi | InChI=1S/C20H24O4/c1-24-20-13-16(9-12-19(20)23)8-11-18(22)14-17(21)10-7-15-5-3-2-4-6-15/h2-6,9,12-13,18,22-23H,7-8,10-11,14H2,1H3/t18-/m1/s1 |
| Smiles | COC1=C(C=CC(=C1)CC[C@H](CC(=O)CCC2=CC=CC=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Officinarum (Plant) Rel Props:Source_db:cmaup_ingredients