8-(5,8-Dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-5-hydroxy-2,2-dimethylpyrano[3,2-g]chromen-6-one
PubChem CID: 163025468
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| Prediction Swissadme | 1.0 |
|---|---|
| Topological Polar Surface Area | 105.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | RFGSOODRLBHPMO-UHFFFAOYSA-N |
| Fcsp3 | 0.32 |
| Rotatable Bond Count | 1.0 |
| Heavy Atom Count | 32.0 |
| Compound Name | 8-(5,8-Dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-5-hydroxy-2,2-dimethylpyrano[3,2-g]chromen-6-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 436.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 436.152 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 830.0 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 436.5 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-(5,8-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-5-hydroxy-2,2-dimethylpyrano[3,2-g]chromen-6-one |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -5.231452000000001 |
| Inchi | InChI=1S/C25H24O7/c1-24(2)7-5-12-18(31-24)11-19-20(22(12)29)15(26)10-17(30-19)14-9-16(27)23-13(21(14)28)6-8-25(3,4)32-23/h5,7,9-11,27-29H,6,8H2,1-4H3 |
| Smiles | CC1(CCC2=C(C(=CC(=C2O1)O)C3=CC(=O)C4=C(C5=C(C=C4O3)OC(C=C5)(C)C)O)O)C |
| Xlogp | 4.6 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C25H24O7 |
- 1. Outgoing r'ship
FOUND_INto/from Paeonia Rockii (Plant) Rel Props:Source_db:cmaup_ingredients