(1R)-Minwanenone
PubChem CID: 11032739
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| Compound Synonyms | (1R)-Minwanenone, CHEMBL507219 |
|---|---|
| Topological Polar Surface Area | 63.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 494.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (1R,2R,6R,7S,8R)-6-(hydroxymethyl)-2,6,7-trimethyl-9-oxatricyclo[6.3.1.01,5]dodec-4-ene-3,10-dione |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Is Pains | False |
| Molecular Formula | C15H20O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OZYHJADBOXHPLS-CPWYHZLMSA-N |
| Fcsp3 | 0.7333333333333333 |
| Rotatable Bond Count | 1.0 |
| Compound Name | (1R)-Minwanenone |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 264.136 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 264.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 264.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0175902 |
| Inchi | InChI=1S/C15H20O4/c1-8-10(17)4-12-14(3,7-16)9(2)11-5-15(8,12)6-13(18)19-11/h4,8-9,11,16H,5-7H2,1-3H3/t8-,9+,11+,14+,15+/m0/s1 |
| Smiles | C[C@@H]1[C@H]2C[C@@]3(CC(=O)O2)[C@H](C(=O)C=C3[C@]1(C)CO)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Illicium Minwanense (Plant) Rel Props:Source_db:cmaup_ingredients