5,7-Dihydroxy-2-[3-hydroxy-4-methyl-2-(3-methylbut-2-enyl)phenyl]-3-methoxychromen-4-one
PubChem CID: 162919761
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 96.2 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 649.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-2-[3-hydroxy-4-methyl-2-(3-methylbut-2-enyl)phenyl]-3-methoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.1 |
| Molecular Formula | C22H22O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RUZILUVYYREOBK-UHFFFAOYSA-N |
| Fcsp3 | 0.2272727272727272 |
| Logs | -3.499 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.98 |
| Compound Name | 5,7-Dihydroxy-2-[3-hydroxy-4-methyl-2-(3-methylbut-2-enyl)phenyl]-3-methoxychromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 382.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 382.142 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 382.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.2426115428571425 |
| Inchi | InChI=1S/C22H22O6/c1-11(2)5-7-14-15(8-6-12(3)19(14)25)21-22(27-4)20(26)18-16(24)9-13(23)10-17(18)28-21/h5-6,8-10,23-25H,7H2,1-4H3 |
| Smiles | CC1=C(C(=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC)CC=C(C)C)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dysosma Versipellis (Plant) Rel Props:Source_db:cmaup_ingredients