(8Z,11Z,14Z)-Heptadecatrienal
PubChem CID: 6430107
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| Compound Synonyms | (8Z,11Z,14Z)-Heptadecatrienal, Heptadecatrienal, 56797-44-5, 8Z,11Z,14Z-heptadecatrienal, (8Z,11Z,14Z)-8,11,14-Heptadecatrienal, (8Z,11Z,14Z)-heptadeca-8,11,14-trienal, norlinolenic aldehyde, CHEBI:76151, 8,11,14-Heptadecatrienal, (8Z,11Z,14Z)-, DTXSID301288694, LMFA06000111, (z,z,z)-8,11,14-heptadecatrienal, (Z,Z,Z) 8,11,14-heptadecatrienal, 8(Z),11(Z),14(Z)-Heptadecatrienal, HY-165826, Q27145788 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty aldehydes |
| Deep Smiles | CC/C=CC/C=CC/C=CCCCCCCC=O |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty aldehydes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 248.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (8Z,11Z,14Z)-heptadeca-8,11,14-trienal |
| Prediction Hob | 1.0 |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 5.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C17H28O |
| Prediction Swissadme | 0.0 |
| Inchi Key | NIPNNUONNZABRE-PDBXOOCHSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.5882352941176471 |
| Logs | -3.249 |
| Rotatable Bond Count | 12.0 |
| Logd | 3.116 |
| Synonyms | (z,z,z)-heptadeca-8,11,14-trienal |
| Esol Class | Soluble |
| Functional Groups | C/C=CC, CC=O |
| Compound Name | (8Z,11Z,14Z)-Heptadecatrienal |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 248.214 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 248.214 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 248.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Lipinski Rule Of 5 | True |
| Esol | -4.273641999999999 |
| Inchi | InChI=1S/C17H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h3-4,6-7,9-10,17H,2,5,8,11-16H2,1H3/b4-3-,7-6-,10-9- |
| Smiles | CC/C=C\C/C=C\C/C=C\CCCCCCC=O |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 3.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 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 Lonicera Japonica (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730090609 - 4. Outgoing r'ship
FOUND_INto/from Peltodon Longipes (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Podocarpus Elongata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Salvadora Persica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Ulva Pertusa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all