5-Hydroxy-3-[4-hydroxy-2-methoxy-5-(3-methylbut-2-enyl)phenyl]-7-methoxy-2,3-dihydrochromen-4-one
PubChem CID: 5317199
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 85.2 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 571.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-3-[4-hydroxy-2-methoxy-5-(3-methylbut-2-enyl)phenyl]-7-methoxy-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Molecular Formula | C22H24O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RGXQEROHDTYEQG-UHFFFAOYSA-N |
| Fcsp3 | 0.3181818181818182 |
| Logs | -4.759 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.615 |
| Compound Name | 5-Hydroxy-3-[4-hydroxy-2-methoxy-5-(3-methylbut-2-enyl)phenyl]-7-methoxy-2,3-dihydrochromen-4-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 384.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 384.157 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 384.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.221996457142858 |
| Inchi | InChI=1S/C22H24O6/c1-12(2)5-6-13-7-15(19(27-4)10-17(13)23)16-11-28-20-9-14(26-3)8-18(24)21(20)22(16)25/h5,7-10,16,23-24H,6,11H2,1-4H3 |
| Smiles | CC(=CCC1=CC(=C(C=C1O)OC)C2COC3=CC(=CC(=C3C2=O)O)OC)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Erythrina Poeppigiana (Plant) Rel Props:Source_db:cmaup_ingredients