Cochinchinenin A
PubChem CID: 42607673
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| Compound Synonyms | Cochinchinenin A, 1057666-04-2, VF28BF5REK, UNII-VF28BF5REK, 1-Propanone, 3-(2,6-dimethoxyphenyl)-1-(4-hydroxyphenyl)-, 3-(2,6-dimethoxyphenyl)-1-(4-hydroxyphenyl)propan-1-one, 3-(2,6-Dimethoxyphenyl)-1-(4-hydroxyphenyl)-1-propanone, 4'-Hydroxy-2,6-dimethoxydihydrochalcone, LMPK12120463, AKOS040760345, FS-7115, CS-0018687, G69808 |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 311.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(2,6-dimethoxyphenyl)-1-(4-hydroxyphenyl)propan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C17H18O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BRIOVNZRUNCVKT-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -3.946 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.137 |
| Compound Name | Cochinchinenin 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/c1-20-16-4-3-5-17(21-2)14(16)10-11-15(19)12-6-8-13(18)9-7-12/h3-9,18H,10-11H2,1-2H3 |
| Smiles | COC1=C(C(=CC=C1)OC)CCC(=O)C2=CC=C(C=C2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients