Greenwayodendrin-3-one
PubChem CID: 46891354
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | greenwayodendrin-3-one, CHEMBL1083628 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 22.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | NEPLKJAINOWIJL-JFSTXAPLSA-N |
| Fcsp3 | 0.6086956521739131 |
| Rotatable Bond Count | 0.0 |
| Heavy Atom Count | 25.0 |
| Compound Name | Greenwayodendrin-3-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 335.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 335.225 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 597.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 335.5 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1R,12R,13S,18R)-1,13,17,17-tetramethyl-2-azapentacyclo[10.8.0.02,10.03,8.013,18]icosa-3,5,7,9-tetraen-16-one |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -5.097044200000001 |
| Inchi | InChI=1S/C23H29NO/c1-21(2)18-9-12-23(4)19(22(18,3)11-10-20(21)25)14-16-13-15-7-5-6-8-17(15)24(16)23/h5-8,13,18-19H,9-12,14H2,1-4H3/t18-,19+,22-,23+/m0/s1 |
| Smiles | C[C@]12CCC(=O)C([C@@H]1CC[C@@]3([C@@H]2CC4=CC5=CC=CC=C5N43)C)(C)C |
| Xlogp | 4.6 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C23H29NO |
- 1. Outgoing r'ship
FOUND_INto/from Araucaria Bidwillii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Lupinus Albus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Orobanche Coerulescens (Plant) Rel Props:Source_db:cmaup_ingredients