7-Hydroxy-3-(5-hydroxy-8-methoxy-2,2-dimethylchromen-6-yl)chromen-4-one
PubChem CID: 5481231
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| Topological Polar Surface Area | 85.2 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 653.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-3-(5-hydroxy-8-methoxy-2,2-dimethylchromen-6-yl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C21H18O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JECXZJYJOHFHOZ-UHFFFAOYSA-N |
| Fcsp3 | 0.1904761904761904 |
| Logs | -3.285 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.105 |
| Compound Name | 7-Hydroxy-3-(5-hydroxy-8-methoxy-2,2-dimethylchromen-6-yl)chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 366.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 366.11 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 366.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.037106318518519 |
| Inchi | InChI=1S/C21H18O6/c1-21(2)7-6-13-19(24)14(9-17(25-3)20(13)27-21)15-10-26-16-8-11(22)4-5-12(16)18(15)23/h4-10,22,24H,1-3H3 |
| Smiles | CC1(C=CC2=C(C(=CC(=C2O1)OC)C3=COC4=C(C3=O)C=CC(=C4)O)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Picrasma Excelsa (Plant) Rel Props:Source_db:cmaup_ingredients