5,6-Dihydroxy-7-methoxy-2-methyl-4H-1-benzopyran-4-one
PubChem CID: 52918156
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL1684146, 87402-89-9, 5,6-Dihydroxy-7-methoxy-2-methyl-4H-1-benzopyran-4-one, DTXSID001210187, BDBM50338665, 5,6-dihydroxy-7-methoxy-2-methyl-chromen-4-one, 5,6-dihydroxy-7-methoxy-2-methyl-4H-chromen-4-one |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 324.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P23219, P35354 |
| Iupac Name | 5,6-dihydroxy-7-methoxy-2-methylchromen-4-one |
| Prediction Hob | 1.0 |
| Target Id | NPT30, NPT31 |
| Xlogp | 1.7 |
| Molecular Formula | C11H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PJUGYRBTUWDWFG-UHFFFAOYSA-N |
| Fcsp3 | 0.1818181818181818 |
| Logs | -2.063 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.008 |
| Compound Name | 5,6-Dihydroxy-7-methoxy-2-methyl-4H-1-benzopyran-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 222.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 222.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2063151999999997 |
| Inchi | InChI=1S/C11H10O5/c1-5-3-6(12)9-7(16-5)4-8(15-2)10(13)11(9)14/h3-4,13-14H,1-2H3 |
| Smiles | CC1=CC(=O)C2=C(C(=C(C=C2O1)OC)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corynandra Viscosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Dalbergia Candenatensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Dryopteris Dilatata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Ligularia Altaica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all