(1'R,2R,4R,5'S)-6,6,8,8-tetramethyl-4-(2-methylpropyl)-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-bicyclo[3.1.0]hexane]-5,7-dione
PubChem CID: 132576370
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL4063326 |
|---|---|
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 769.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1'R,2R,4R,5'S)-6,6,8,8-tetramethyl-4-(2-methylpropyl)-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-bicyclo[3.1.0]hexane]-5,7-dione |
| Prediction Hob | 0.0 |
| Xlogp | 6.0 |
| Molecular Formula | C25H38O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AWVVHJNYLKQUAI-AXNGDHQNSA-N |
| Fcsp3 | 0.84 |
| Logs | -5.675 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.857 |
| Compound Name | (1'R,2R,4R,5'S)-6,6,8,8-tetramethyl-4-(2-methylpropyl)-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-bicyclo[3.1.0]hexane]-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 | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.8250712 |
| Inchi | InChI=1S/C25H38O3/c1-14(2)11-16-12-25(10-9-24(15(3)4)13-17(24)25)28-20-18(16)19(26)22(5,6)21(27)23(20,7)8/h14-17H,9-13H2,1-8H3/t16-,17+,24-,25-/m1/s1 |
| Smiles | CC(C)C[C@@H]1C[C@@]2(CC[C@]3([C@@H]2C3)C(C)C)OC4=C1C(=O)C(C(=O)C4(C)C)(C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rhodomyrtus Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients