Miwanensin
PubChem CID: 11140631
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Miwanensin, CHEMBL468038 |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 452.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Iupac Name | (1R,2R,4S,5R,6S,7S,8R)-4,5-dihydroxy-6-(hydroxymethyl)-2,6,7-trimethyl-9-oxatricyclo[6.3.1.01,5]dodecan-10-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Is Pains | False |
| Molecular Formula | C15H24O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZOGSYYGIIXOAJT-JBXBGZNISA-N |
| Fcsp3 | 0.9333333333333332 |
| Rotatable Bond Count | 1.0 |
| Compound Name | Miwanensin |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 284.162 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 284.162 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 284.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1417824 |
| Inchi | InChI=1S/C15H24O5/c1-8-4-11(17)15(19)13(3,7-16)9(2)10-5-14(8,15)6-12(18)20-10/h8-11,16-17,19H,4-7H2,1-3H3/t8-,9-,10-,11+,13-,14-,15+/m1/s1 |
| Smiles | C[C@@H]1C[C@@H]([C@]2([C@@]13C[C@H]([C@H]([C@@]2(C)CO)C)OC(=O)C3)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Illicium Minwanense (Plant) Rel Props:Source_db:cmaup_ingredients