Lathodoratin
PubChem CID: 5281344
Connections displayed (default: 10).
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| Compound Synonyms | Lathodoratin, 76693-50-0, 3-ethyl-5,7-dihydroxychromen-4-one, 3-Ethyl-5,7-dihydroxy-4H-chromen-4-one, 5,7-Dihydroxy-3-ethylchromone, 4H-1-Benzopyran-4-one, 3-ethyl-5,7-dihydroxy-, 9P1MDG54E1, C09012, AC1NQYDM, UNII-9P1MDG54E1, starbld0007615, 3-ethyl-5,7-dihydroxychromone, CHEBI:6385, DTXSID10415106, SCZKCXUGDWJJGV-UHFFFAOYSA-N, AKOS040752431, PD118118, 3-Ethyl-5,7-dihydroxy-4H-chromen-4-one #, Q27107187 |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 297.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-ethyl-5,7-dihydroxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C11H10O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SCZKCXUGDWJJGV-UHFFFAOYSA-N |
| Fcsp3 | 0.1818181818181818 |
| Logs | -2.771 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.059 |
| Compound Name | Lathodoratin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 206.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 206.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 206.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.427754733333333 |
| Inchi | InChI=1S/C11H10O4/c1-2-6-5-15-9-4-7(12)3-8(13)10(9)11(6)14/h3-5,12-13H,2H2,1H3 |
| Smiles | CCC1=COC2=CC(=CC(=C2C1=O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hypericum Sikokumontanum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Isodon Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Isodon Lasiocarpus (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Ostryopsis Davidiana (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Osyris Abyssinica (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Polymnia Uvedalia (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Rabdosia Nervosa (Plant) Rel Props:Source_db:cmaup_ingredients