4,5-Dimethoxy-2,11-dioxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-10-one
PubChem CID: 155545194
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL4527470 |
|---|---|
| Topological Polar Surface Area | 54.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 418.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,5-dimethoxy-2,11-dioxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-10-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C20H22O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HIKHOJHPWDGJCN-UHFFFAOYSA-N |
| Fcsp3 | 0.35 |
| Logs | -3.921 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.329 |
| Compound Name | 4,5-Dimethoxy-2,11-dioxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-10-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 342.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 342.147 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 342.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.624124200000001 |
| Inchi | InChI=1S/C20H22O5/c1-22-17-12-15-7-10-19(21)24-11-3-4-14-5-8-16(9-6-14)25-18(13-15)20(17)23-2/h5-6,8-9,12-13H,3-4,7,10-11H2,1-2H3 |
| Smiles | COC1=CC2=CC(=C1OC)OC3=CC=C(CCCOC(=O)CC2)C=C3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Xylocarpus Granatum (Plant) Rel Props:Source_db:cmaup_ingredients