(2E,4E,8Z)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide
PubChem CID: 70693621
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL2011545, BDBM50379799 |
|---|---|
| Topological Polar Surface Area | 29.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 322.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q07869, P37231, Q03181 |
| Iupac Name | (2E,4E,8Z)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide |
| Prediction Hob | 1.0 |
| Target Id | NPT866, NPT99, NPT106 |
| Xlogp | 4.2 |
| Molecular Formula | C16H25NO |
| Prediction Swissadme | 1.0 |
| Inchi Key | VLGRWXYRKYWRPX-NWUZEOGLSA-N |
| Fcsp3 | 0.4375 |
| Logs | -3.065 |
| Rotatable Bond Count | 8.0 |
| Logd | 3.535 |
| Compound Name | (2E,4E,8Z)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 247.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 247.194 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 247.38 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 4.0 |
| Esol | -3.7311684 |
| Inchi | InChI=1S/C16H25NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h4-7,10-13,15H,8-9,14H2,1-3H3,(H,17,18)/b5-4?,7-6-,11-10+,13-12+ |
| Smiles | CC=C/C=C\CC/C=C/C=C/C(=O)NCC(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Episcopale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Ardisia Arborescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Asarum Sieboldii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Echinacea Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Eucalyptus Hybrid (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Garcinia Oligantha (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Iris Spuria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Rubus Trifidus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all