(2S,4R)-2-ethenyl-6,6,8,8-tetramethyl-2-(4-methylpent-3-enyl)-4-(2-methylpropyl)-3,4-dihydrochromene-5,7-dione
PubChem CID: 132576375
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL4074703 |
|---|---|
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 729.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2S,4R)-2-ethenyl-6,6,8,8-tetramethyl-2-(4-methylpent-3-enyl)-4-(2-methylpropyl)-3,4-dihydrochromene-5,7-dione |
| Prediction Hob | 1.0 |
| Xlogp | 6.6 |
| Molecular Formula | C25H38O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HSUQGAGUNSIVOE-CJAUYULYSA-N |
| Fcsp3 | 0.68 |
| Logs | -0.92 |
| Rotatable Bond Count | 6.0 |
| Logd | -1.41 |
| Compound Name | (2S,4R)-2-ethenyl-6,6,8,8-tetramethyl-2-(4-methylpent-3-enyl)-4-(2-methylpropyl)-3,4-dihydrochromene-5,7-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 386.282 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 386.282 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 386.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.011371200000001 |
| Inchi | InChI=1S/C25H38O3/c1-10-25(13-11-12-16(2)3)15-18(14-17(4)5)19-20(26)23(6,7)22(27)24(8,9)21(19)28-25/h10,12,17-18H,1,11,13-15H2,2-9H3/t18-,25+/m1/s1 |
| Smiles | CC(C)C[C@@H]1C[C@@](OC2=C1C(=O)C(C(=O)C2(C)C)(C)C)(CCC=C(C)C)C=C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rhodomyrtus Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients