2-(3,5-Dihydroxyphenyl)-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromene-5,6-diol
PubChem CID: 75163107
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| Compound Synonyms | CHEMBL3397402 |
|---|---|
| Topological Polar Surface Area | 103.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 486.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,5-dihydroxyphenyl)-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromene-5,6-diol |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C19H18O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | MVSILSXKBJYENB-UHFFFAOYSA-N |
| Fcsp3 | 0.2631578947368421 |
| Logs | -3.535 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.801 |
| Compound Name | 2-(3,5-Dihydroxyphenyl)-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromene-5,6-diol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 342.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 342.11 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 342.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7076514000000005 |
| Inchi | InChI=1S/C19H18O6/c1-19(2)18(23)17(22)13-5-10-6-14(24-15(10)8-16(13)25-19)9-3-11(20)7-12(21)4-9/h3-8,17-18,20-23H,1-2H3 |
| Smiles | CC1(C(C(C2=C(O1)C=C3C(=C2)C=C(O3)C4=CC(=CC(=C4)O)O)O)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients