Sucutinirane A
PubChem CID: 24863609
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | sucutinirane A, [(4aS,5S,6aS,7R,10aR,11aS,11bR)-10a-hydroxy-4,4,7,11b-tetramethyl-9-oxo-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-f][1]benzofuran-5-yl] acetate, ((4aS,5S,6aS,7R,10aR,11aS,11bR)-10a-hydroxy-4,4,7,11b-tetramethyl-9-oxo-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho(2,1-f)(1)benzofuran-5-yl) acetate, CHEMBL514119, 1034558-62-7 |
|---|---|
| Topological Polar Surface Area | 72.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 709.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Iupac Name | [(4aS,5S,6aS,7R,10aR,11aS,11bR)-10a-hydroxy-4,4,7,11b-tetramethyl-9-oxo-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-f][1]benzofuran-5-yl] acetate |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C22H32O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SBMJOOYWCLPOPY-RTVASPDHSA-N |
| Fcsp3 | 0.8181818181818182 |
| Logs | -4.747 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.076 |
| Compound Name | Sucutinirane A |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 376.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 376.225 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 376.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.474056600000001 |
| Inchi | InChI=1S/C22H32O5/c1-12-14-9-17(26-13(2)23)19-20(3,4)7-6-8-21(19,5)16(14)11-22(25)15(12)10-18(24)27-22/h10,12,14,16-17,19,25H,6-9,11H2,1-5H3/t12-,14+,16+,17+,19+,21-,22-/m1/s1 |
| Smiles | C[C@@H]1[C@@H]2C[C@@H]([C@@H]3[C@@]([C@H]2C[C@@]4(C1=CC(=O)O4)O)(CCCC3(C)C)C)OC(=O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bowdichia Nitida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all