2-[(2R)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl 3-methylbut-2-enoate
PubChem CID: 137641346
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL4074094 |
|---|---|
| Topological Polar Surface Area | 61.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 753.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 2-[(2R)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl 3-methylbut-2-enoate |
| Prediction Hob | 1.0 |
| Xlogp | 5.9 |
| Molecular Formula | C24H28O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | BBVKJQDXUKGIMY-HXUWFJFHSA-N |
| Fcsp3 | 0.4166666666666667 |
| Logs | -3.771 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.754 |
| Compound Name | 2-[(2R)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl 3-methylbut-2-enoate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 396.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 396.194 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 396.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.143567013793104 |
| Inchi | InChI=1S/C24H28O5/c1-8-23(4,5)17-11-15-10-16-12-20(24(6,7)29-21(25)9-14(2)3)27-18(16)13-19(15)28-22(17)26/h8-11,13,20H,1,12H2,2-7H3/t20-/m1/s1 |
| Smiles | CC(=CC(=O)OC(C)(C)[C@H]1CC2=C(O1)C=C3C(=C2)C=C(C(=O)O3)C(C)(C)C=C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ruta Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients