Seselidiol
PubChem CID: 6438621
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| Compound Synonyms | Seselidiol, (8Z)-heptadeca-1,8-dien-4,6-diyne-3,10-diol, 132075-01-5, Heptadeca-1,8-diene-4,6-diyne-3,10-diol, CHEBI:66471, 1,8-Heptadecadiene-4,6-diyne-3,10-diol, 1,8-Hdddd, CHEMBL463807, (Z)-(+-)-1,8-Heptadecadiene-4,6-diyne-3,10-diol, DTXSID401241566, LMFA05000584, 8(E)-Heptadeca-1,8-dien-4,6-diyn-3,10-diol, Q27135065, (8Z)-(+)-1,8-Heptadecadiene-4,6-diyne-3,10-diol, 1,8-Heptadecadiene-4,6-diyne-3,10-diol, (Z)-(+)- |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Description | Isolated from Panax quinquefolium (American ginseng). 1,8-Heptadecadiene-4,6-diyne-3,10-diol is found in tea. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 394.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (8Z)-heptadeca-1,8-dien-4,6-diyne-3,10-diol |
| Prediction Hob | 0.0 |
| Class | Fatty Acyls |
| Xlogp | 4.3 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohols |
| Molecular Formula | C17H24O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DSVMWGREWREVQQ-QINSGFPZSA-N |
| Fcsp3 | 0.5294117647058824 |
| Logs | -3.903 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.011 |
| Synonyms | 1,8-Hdddd, 8(E)-Heptadeca-1,8-dien-4,6-diyn-3,10-diol, Seselidiol, 1,8-HDDDD, 8(e)-Heptadeca-1,8-dien-4,6-diyn-3,10-diol, Heptadeca-1,8-diene-4,6-diyne-3,10-diol |
| Substituent Name | Long chain fatty alcohol, Secondary alcohol, Hydrocarbon derivative, Organooxygen compound, Alcohol, Aliphatic acyclic compound |
| Compound Name | Seselidiol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 260.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 260.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 260.399 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -3.6038374 |
| Inchi | InChI=1S/C17H24O2/c1-3-5-6-7-11-14-17(19)15-12-9-8-10-13-16(18)4-2/h4,12,15-19H,2-3,5-7,11,14H2,1H3/b15-12- |
| Smiles | CCCCCCCC(/C=C\C#CC#CC(C=C)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Long-chain fatty alcohols |
- 1. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Panax Japonicus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Panax Notoginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Panax Quinquefolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Saposhnikovia Divaricata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all