2-(2,4-Dihydroxyphenoxy)-5-hydroxy-7-methoxy-6-(3-methylbut-2-enyl)chromen-4-one
PubChem CID: 163040494
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| Topological Polar Surface Area | 105.0 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 624.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2,4-dihydroxyphenoxy)-5-hydroxy-7-methoxy-6-(3-methylbut-2-enyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C21H20O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CIWJENLWOBLTHL-UHFFFAOYSA-N |
| Fcsp3 | 0.1904761904761904 |
| Logs | -3.322 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.856 |
| Compound Name | 2-(2,4-Dihydroxyphenoxy)-5-hydroxy-7-methoxy-6-(3-methylbut-2-enyl)chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 384.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 384.121 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 384.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.5525379428571435 |
| Inchi | InChI=1S/C21H20O7/c1-11(2)4-6-13-17(26-3)10-18-20(21(13)25)15(24)9-19(28-18)27-16-7-5-12(22)8-14(16)23/h4-5,7-10,22-23,25H,6H2,1-3H3 |
| Smiles | CC(=CCC1=C(C=C2C(=C1O)C(=O)C=C(O2)OC3=C(C=C(C=C3)O)O)OC)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Aspera (Plant) Rel Props:Source_db:cmaup_ingredients