8-(2,2-dimethyl-8H-pyrano[3,2-g]chromen-7-yl)-2,2-dimethylchromen-5-ol
PubChem CID: 132504089
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| Compound Synonyms | CHEMBL4085878 |
|---|---|
| Topological Polar Surface Area | 47.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 733.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-(2,2-dimethyl-8H-pyrano[3,2-g]chromen-7-yl)-2,2-dimethylchromen-5-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.9 |
| Molecular Formula | C25H24O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | KJLHURDOQBQNIV-UHFFFAOYSA-N |
| Fcsp3 | 0.28 |
| Logs | -4.108 |
| Rotatable Bond Count | 1.0 |
| Logd | 5.581 |
| Compound Name | 8-(2,2-dimethyl-8H-pyrano[3,2-g]chromen-7-yl)-2,2-dimethylchromen-5-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 388.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 388.167 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 388.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.588277496551725 |
| Inchi | InChI=1S/C25H24O4/c1-24(2)9-7-15-11-16-12-17(14-27-21(16)13-22(15)28-24)18-5-6-20(26)19-8-10-25(3,4)29-23(18)19/h5-13,26H,14H2,1-4H3 |
| Smiles | CC1(C=CC2=CC3=C(C=C2O1)OCC(=C3)C4=C5C(=C(C=C4)O)C=CC(O5)(C)C)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Source_db:cmaup_ingredients