2-(3,4-Dimethoxyphenyl)-7-hydroxy-6,8-dimethoxychromen-4-one
PubChem CID: 72204299
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL2409234 |
|---|---|
| Topological Polar Surface Area | 83.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 534.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 2-(3,4-dimethoxyphenyl)-7-hydroxy-6,8-dimethoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C19H18O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ORHYNAPTVRQMKM-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -4.69 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.625 |
| Compound Name | 2-(3,4-Dimethoxyphenyl)-7-hydroxy-6,8-dimethoxychromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 358.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 358.105 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 358.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.396729815384616 |
| Inchi | InChI=1S/C19H18O7/c1-22-13-6-5-10(7-15(13)23-2)14-9-12(20)11-8-16(24-3)17(21)19(25-4)18(11)26-14/h5-9,21H,1-4H3 |
| Smiles | COC1=C(C=C(C=C1)C2=CC(=O)C3=CC(=C(C(=C3O2)OC)O)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Clausena Lenis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Echinopsis Spachiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Launaea Arborescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Macrotomia Ugamensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Piptanthus Mongolicus (Plant) Rel Props:Source_db:npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Piptanthus Nepalensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Reichardia Gaditana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all