Ginsenoyne K
PubChem CID: 15736266
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| Compound Synonyms | Ginsenoyne K, (8E)-10-hydroperoxyheptadeca-1,8-dien-4,6-diyn-3-ol, (3R,10S,8E)-10-Hydroperoxy-1,8-heptadecadiene-4,6-diyn-3-ol, CHEBI:174647, LMFA05000664, (8e)-10hydroperoxy-1,8-heptadecadiene-4,6-diyn-3-ol |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols |
| Deep Smiles | CCCCCCCC/C=C/C#CC#CCC=C))O))))))))OO |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Fatty acyls |
| Description | Constituent of the roots of Panax ginseng. Ginsenoyne K is found in tea. |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 410.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (8E)-10-hydroperoxyheptadeca-1,8-dien-4,6-diyn-3-ol |
| Prediction Hob | 0.0 |
| Class | Fatty Acyls |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.3 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohols |
| Gsk 4 400 Rule | True |
| Molecular Formula | C17H24O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SYNBBWLEYQBFQT-NTCAYCPXSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.5294117647058824 |
| Logs | -3.937 |
| Rotatable Bond Count | 10.0 |
| Logd | 2.742 |
| Synonyms | Ginsenoyne K, ginsenoyne k |
| Esol Class | Soluble |
| Functional Groups | C=CC, CC#CC#C/C=C/C, CO, COO |
| Compound Name | Ginsenoyne K |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 276.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 276.173 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 276.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -3.6685311999999994 |
| Inchi | InChI=1S/C17H24O3/c1-3-5-6-7-11-14-17(20-19)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)OO |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Long-chain fatty alcohols |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all