5-Hydroxy-7-(7-hydroxy-2,2-dimethylchromen-6-yl)-2,2-dimethylpyrano[3,2-g]chromen-6-one
PubChem CID: 5318848
Connections displayed (default: 10).
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| Topological Polar Surface Area | 85.2 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 839.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-7-(7-hydroxy-2,2-dimethylchromen-6-yl)-2,2-dimethylpyrano[3,2-g]chromen-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.9 |
| Molecular Formula | C25H22O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KFPMUQSSOONJHJ-UHFFFAOYSA-N |
| Fcsp3 | 0.24 |
| Logs | -2.322 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.874 |
| Compound Name | 5-Hydroxy-7-(7-hydroxy-2,2-dimethylchromen-6-yl)-2,2-dimethylpyrano[3,2-g]chromen-6-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 418.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 418.142 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 418.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.3206944838709695 |
| Inchi | InChI=1S/C25H22O6/c1-24(2)7-5-13-9-15(17(26)10-18(13)30-24)16-12-29-20-11-19-14(6-8-25(3,4)31-19)22(27)21(20)23(16)28/h5-12,26-27H,1-4H3 |
| Smiles | CC1(C=CC2=CC(=C(C=C2O1)O)C3=COC4=CC5=C(C=CC(O5)(C)C)C(=C4C3=O)O)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eriosema Kraussianum (Plant) Rel Props:Source_db:cmaup_ingredients