3-(2,2-Dimethylchromen-7-yl)-5,7-dihydroxy-chromen-4-one
PubChem CID: 44559672
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| Compound Synonyms | CHEMBL459201, 3-(2,2-dimethylchromen-7-yl)-5,7-dihydroxy-chromen-4-one |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 607.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(2,2-dimethylchromen-7-yl)-5,7-dihydroxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C20H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CZOGIPODZHBTGK-UHFFFAOYSA-N |
| Fcsp3 | 0.15 |
| Logs | -3.429 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.249 |
| Compound Name | 3-(2,2-Dimethylchromen-7-yl)-5,7-dihydroxy-chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 336.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 336.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 336.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.317426600000001 |
| Inchi | InChI=1S/C20H16O5/c1-20(2)6-5-11-3-4-12(7-16(11)25-20)14-10-24-17-9-13(21)8-15(22)18(17)19(14)23/h3-10,21-22H,1-2H3 |
| Smiles | CC1(C=CC2=C(O1)C=C(C=C2)C3=COC4=CC(=CC(=C4C3=O)O)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Erythrina Vogelii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ficus Mucuso (Plant) Rel Props:Source_db:cmaup_ingredients