Cycloparvifloralone
PubChem CID: 44584732
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| Compound Synonyms | cycloparvifloralone, CHEMBL508396, 228724-73-0 |
|---|---|
| Topological Polar Surface Area | 99.4 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 512.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Iupac Name | (1R,2R,5R,6S,8R,13R,14R)-1,5,13-trimethyl-9,11-dioxatetracyclo[6.4.1.16,10.02,6]tetradecane-2,8,13,14-tetrol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | -0.7 |
| Is Pains | False |
| Molecular Formula | C15H24O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NMVDVMIPBSSDSI-TYFONEDASA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 0.0 |
| Compound Name | Cycloparvifloralone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 300.157 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 300.157 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 300.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.2422762 |
| Inchi | InChI=1S/C15H24O6/c1-8-4-5-14(18)11(2)7-20-10-9(16)13(8,14)6-15(19,21-10)12(11,3)17/h8-10,16-19H,4-7H2,1-3H3/t8-,9+,10?,11+,12-,13+,14+,15-/m1/s1 |
| Smiles | C[C@@H]1CC[C@]2([C@@]13C[C@@]4([C@]([C@@]2(COC([C@@H]3O)O4)C)(C)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Illicium Difengpi (Plant) Rel Props:Source_db:cmaup_ingredients