1-(3-Hydroxy-4-methoxyphenyl)-3-(2,4,6-trimethoxyphenyl)propan-1-one
PubChem CID: 72702319
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL3092474 |
|---|---|
| Topological Polar Surface Area | 74.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 401.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P02550 |
| Iupac Name | 1-(3-hydroxy-4-methoxyphenyl)-3-(2,4,6-trimethoxyphenyl)propan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C19H22O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GCROVFAGFAHOEX-UHFFFAOYSA-N |
| Fcsp3 | 0.3157894736842105 |
| Logs | -3.144 |
| Rotatable Bond Count | 8.0 |
| Logd | 2.288 |
| Compound Name | 1-(3-Hydroxy-4-methoxyphenyl)-3-(2,4,6-trimethoxyphenyl)propan-1-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 346.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 346.142 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 346.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7236498000000005 |
| Inchi | InChI=1S/C19H22O6/c1-22-13-10-18(24-3)14(19(11-13)25-4)6-7-15(20)12-5-8-17(23-2)16(21)9-12/h5,8-11,21H,6-7H2,1-4H3 |
| Smiles | COC1=C(C=C(C=C1)C(=O)CCC2=C(C=C(C=C2OC)OC)OC)O |
| Nring | 10.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acacia Jacquemontii (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Aloe Littoralis (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Androsace Umbellata (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Anthriscus Sylvestris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Cephalotaxus Oliveri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Lemmaphyllum Microphyllum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Opopanax Chironium (Plant) Rel Props:Source_db:npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Papaver Orientale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Pelargonium Zonale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Tacca Chantrieri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all