Ugonin T
PubChem CID: 44234198
Connections displayed (default: 10).
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| Compound Synonyms | UGONIN T, 7-(3,4-dihydroxyphenyl)-4-hydroxy-2,3,3-trimethyl-2H-furo(3,2-g)chromen-5-one, 7-(3,4-dihydroxyphenyl)-4-hydroxy-2,3,3-trimethyl-2H-furo[3,2-g]chromen-5-one, CHEMBL561780, SCHEMBL19665252, 1173928-69-2 |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 613.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 7-(3,4-dihydroxyphenyl)-4-hydroxy-2,3,3-trimethyl-2H-furo[3,2-g]chromen-5-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C20H18O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | TZSQNOYZVLLQQY-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.918 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.589 |
| Compound Name | Ugonin T |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 354.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 354.11 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 354.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.436104215384616 |
| Inchi | InChI=1S/C20H18O6/c1-9-20(2,3)18-16(25-9)8-15-17(19(18)24)13(23)7-14(26-15)10-4-5-11(21)12(22)6-10/h4-9,21-22,24H,1-3H3 |
| Smiles | CC1C(C2=C(O1)C=C3C(=C2O)C(=O)C=C(O3)C4=CC(=C(C=C4)O)O)(C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
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