(Z)-8-heptadecenal
PubChem CID: 6430106
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| Compound Synonyms | (Z)-8-heptadecenal, (8z)-heptadecenal, (8Z)-8-Heptadecenal, CHEMBL1812584, 56797-41-2, (Z)-heptadec-8-enal, cis-8-Heptadecenal, 8-Heptadecenal, (Z)-, C6H6NJJ4VT, 8-Heptadecenal, (8Z)-, SCHEMBL6898255, CHEBI:177920, UZXKSNXOPFPOKK-KTKRTIGZSA-N, DTXSID501315493, BDBM50350553, FEMA NO. 4977, (Z)-heptadec-8-enal- |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 184.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O00519 |
| Iupac Name | (Z)-heptadec-8-enal |
| Prediction Hob | 1.0 |
| Target Id | NPT1418 |
| Xlogp | 6.7 |
| Molecular Formula | C17H32O |
| Prediction Swissadme | 0.0 |
| Inchi Key | UZXKSNXOPFPOKK-KTKRTIGZSA-N |
| Fcsp3 | 0.8235294117647058 |
| Logs | -3.332 |
| Rotatable Bond Count | 14.0 |
| Logd | 4.153 |
| Compound Name | (Z)-8-heptadecenal |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 252.245 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 252.245 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 252.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.9100404 |
| Inchi | InChI=1S/C17H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h9-10,17H,2-8,11-16H2,1H3/b10-9- |
| Smiles | CCCCCCCC/C=C\CCCCCCC=O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eschweilera Coriacea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Eucalyptus Cladocalyx (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Peltodon Longipes (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Podocarpus Elongata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Salvadora Persica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Ulva Pertusa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all