5,7-Dihydroxy-2-(8-methoxy-2,2-dimethylchromen-6-yl)-2,3-dihydrochromen-4-one
PubChem CID: 44424650
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL389736, BDBM50212390 |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 601.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P18031 |
| Iupac Name | 5,7-dihydroxy-2-(8-methoxy-2,2-dimethylchromen-6-yl)-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Target Id | NPT178 |
| Xlogp | 3.6 |
| Molecular Formula | C21H20O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SDUMAACMVUGGAC-UHFFFAOYSA-N |
| Fcsp3 | 0.2857142857142857 |
| Logs | -4.157 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.7 |
| Compound Name | 5,7-Dihydroxy-2-(8-methoxy-2,2-dimethylchromen-6-yl)-2,3-dihydrochromen-4-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 368.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 368.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 368.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.614075888888889 |
| Inchi | InChI=1S/C21H20O6/c1-21(2)5-4-11-6-12(7-18(25-3)20(11)27-21)16-10-15(24)19-14(23)8-13(22)9-17(19)26-16/h4-9,16,22-23H,10H2,1-3H3 |
| Smiles | CC1(C=CC2=C(O1)C(=CC(=C2)C3CC(=O)C4=C(C=C(C=C4O3)O)O)OC)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
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