Dihydrocurcumenone
PubChem CID: 153942
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Dihydrocurcumenone, 142717-57-5, Bicyclo(4.1.0)heptan-3-one, 7-((3S)-3-hydroxybutyl)-1-methyl-4-(1-methylethylidene)-, (1S,6R,7R)-, (1S,6R,7R)-7-[(3S)-3-hydroxybutyl]-1-methyl-4-propan-2-ylidenebicyclo[4.1.0]heptan-3-one, 4S-Dihydrocurcumenone, DTXSID30931611, HY-N10881, AKOS032961852, DA-62879, CS-0637317, 7-(3-HYDROXYBUTYL)-1-METHYL-4-(PROPAN-2-YLIDENE)BICYCLO[4.1.0]HEPTAN-3-ONE, (1S,6R,7R)-7-[(3S)-3-HYDROXYBUTYL]-1-METHYL-4-(PROPAN-2-YLIDENE)BICYCLO[4.1.0]HEPTAN-3-ONE |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 365.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1S,6R,7R)-7-[(3S)-3-hydroxybutyl]-1-methyl-4-propan-2-ylidenebicyclo[4.1.0]heptan-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C15H24O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OQZCUYXRSFWCJU-ZGFBFQLVSA-N |
| Fcsp3 | 0.8 |
| Logs | -3.157 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.028 |
| Compound Name | Dihydrocurcumenone |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 236.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 236.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 236.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.915501 |
| Inchi | InChI=1S/C15H24O2/c1-9(2)11-7-13-12(6-5-10(3)16)15(13,4)8-14(11)17/h10,12-13,16H,5-8H2,1-4H3/t10-,12+,13+,15-/m0/s1 |
| Smiles | C[C@@H](CC[C@@H]1[C@@H]2[C@]1(CC(=O)C(=C(C)C)C2)C)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Wenyujin (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Curcuma Zedoaria (Plant) Rel Props:Source_db:cmaup_ingredients