4-hydroxy-7-(4-hydroxyphenyl)-2,3,3-trimethyl-2H-furo[3,2-g]chromen-5-one
PubChem CID: 45270713
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| Compound Synonyms | CHEMBL551658 |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 575.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-hydroxy-7-(4-hydroxyphenyl)-2,3,3-trimethyl-2H-furo[3,2-g]chromen-5-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C20H18O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YPVUORZILHLSOT-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.96 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.834 |
| Compound Name | 4-hydroxy-7-(4-hydroxyphenyl)-2,3,3-trimethyl-2H-furo[3,2-g]chromen-5-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 338.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 338.115 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 338.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.575625800000001 |
| Inchi | InChI=1S/C20H18O5/c1-10-20(2,3)18-16(24-10)9-15-17(19(18)23)13(22)8-14(25-15)11-4-6-12(21)7-5-11/h4-10,21,23H,1-3H3 |
| Smiles | CC1C(C2=C(O1)C=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O)(C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Helminthostachys Zeylanica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all