Loureirin A
PubChem CID: 5319081
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Loureirin A, 119425-89-7, 3-(2,4-dimethoxyphenyl)-1-(4-hydroxyphenyl)propan-1-one, LoureirinA, MFCD10566607, Loureirin A (Standard), CHEMBL253779, SCHEMBL7187176, GTPL13446, HY-N1505R, RSAIVLRELNGZEY-UHFFFAOYSA-N, DTXSID201318286, HY-N1505, LMPK12120602, s3241, ZB1869, AKOS030573608, CS-7883, AC-34430, AS-78728, 3-(2,4-dimethoxyphenyl)-1-(4-hydroxyphenyl)propan-1-on |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 323.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a., P02768 |
| Iupac Name | 3-(2,4-dimethoxyphenyl)-1-(4-hydroxyphenyl)propan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C17H18O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RSAIVLRELNGZEY-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -4.063 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.217 |
| Compound Name | Loureirin A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 286.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 286.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5824845428571432 |
| Inchi | InChI=1S/C17H18O4/c1-20-15-9-5-13(17(11-15)21-2)6-10-16(19)12-3-7-14(18)8-4-12/h3-5,7-9,11,18H,6,10H2,1-2H3 |
| Smiles | COC1=CC(=C(C=C1)CCC(=O)C2=CC=C(C=C2)O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Daemonorops Draco (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Dracaena Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Soymida Febrifuga (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all