5,7-Dihydroxy-2-(4-hydroxyphenoxy)-6-(3-methylbut-2-enyl)chromen-4-one
PubChem CID: 5318314
Connections displayed (default: 10).
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| Topological Polar Surface Area | 96.2 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 571.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-2-(4-hydroxyphenoxy)-6-(3-methylbut-2-enyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C20H18O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CGFVPOAVSIYUCQ-UHFFFAOYSA-N |
| Fcsp3 | 0.15 |
| Logs | -3.176 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.91 |
| Compound Name | 5,7-Dihydroxy-2-(4-hydroxyphenoxy)-6-(3-methylbut-2-enyl)chromen-4-one |
| 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 | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.483804215384616 |
| Inchi | InChI=1S/C20H18O6/c1-11(2)3-8-14-15(22)9-17-19(20(14)24)16(23)10-18(26-17)25-13-6-4-12(21)5-7-13/h3-7,9-10,21-22,24H,8H2,1-2H3 |
| Smiles | CC(=CCC1=C(C2=C(C=C1O)OC(=CC2=O)OC3=CC=C(C=C3)O)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Epimedium Koreanum (Plant) Rel Props:Source_db:cmaup_ingredients