Panaxynol
PubChem CID: 5281149
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| Compound Synonyms | Falcarinol, 21852-80-2, Panaxynol, (3R,9Z)-heptadeca-1,9-dien-4,6-diyn-3-ol, 1,9-Heptadecadiene-4,6-diyn-3-ol, (R)-(-)-Falcarinol, CHEBI:66722, (-)-Falcarinol, 8P1DJD416I, FALCARINOL [HSDB], (-)-PANAXYNOL, CHEMBL71260, HSDB 7070, DTXSID50415266, (Z)-(-)-1,9-heptadecadiene-4,6-diyne-3-ol, (CIS)-(-)-3-HYDROXY-1,9-HEPTADECADIEN-4,6-DIYNE, (3S)-Falcarinol, heptadeca-1,9Z-dien-4,6-diyn-3-ol, (3R)-faclarinol, Heptadeca-1,9E-dien-4,6-diyne-3R-ol, 3(R)-Falcarinol, 1,9-Heptadecadiene-4,6-diyn-3-ol, (3R,9Z)-, UNII-8P1DJD416I, SCHEMBL40767, 1,9Heptadecadiene4,6diyn3ol, DTXCID201326362, GLXC-13583, HY-N1455, BDBM50573712, LMFA05000689, NSC762010, 1,9Z-heptadecadien-4,6-diyn-3R-ol, AKOS032946019, NSC-762010, AC-34681, DA-53109, FF168800, MS-23462, CS-0016901, NS00075460, (R,Z)-Heptadeca-1,9-dien-4,6-diyn-3-ol, C08450, G13266, Q413192 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydrocarbons |
| Deep Smiles | CCCCCCC/C=CCC#CC#C[C@@H]C=C))O |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 363.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3R,9Z)-heptadeca-1,9-dien-4,6-diyn-3-ol |
| Prediction Hob | 0.0 |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 5.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C17H24O |
| Prediction Swissadme | 0.0 |
| Inchi Key | UGJAEDFOKNAMQD-QXPKXGMISA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.5294117647058824 |
| Logs | -4.137 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.839 |
| Synonyms | falcarinol, falcarinol*, panaxynol |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=CC, C=CC, CC#CC#CC, CO |
| Compound Name | Panaxynol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 244.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 244.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 244.37 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Esol | -4.2858436 |
| Inchi | InChI=1S/C17H24O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11,17-18H,2-3,5-9,12H2,1H3/b11-10-/t17-/m1/s1 |
| Smiles | CCCCCCC/C=C\CC#CC#C[C@@H](C=C)O |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Anethum Graveolens (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/9556156 - 2. Outgoing r'ship
FOUND_INto/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Angelica Furcijuga (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Angelica Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Apium Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Carum Carvi (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/9556156 - 9. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/9556156 - 12. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Daucus Sativus (Plant) Rel Props:Reference:ISBN:9788172362300 - 14. Outgoing r'ship
FOUND_INto/from Eleutherococcus Senticosus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Eryngium Foetidum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2008.10643612 - 16. Outgoing r'ship
FOUND_INto/from Foeniculum Vulgare (Plant) Rel Props:Source_db:npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Glehnia Littoralis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 18. Outgoing r'ship
FOUND_INto/from Hedera Helix (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/3180778 - 19. Outgoing r'ship
FOUND_INto/from Oenanthe Javanica (Plant) Rel Props:Reference:ISBN:9788185042145 - 20. Outgoing r'ship
FOUND_INto/from Oplopanax Horridus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 21. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 22. Outgoing r'ship
FOUND_INto/from Panax Japonicus (Plant) Rel Props:Source_db:npass_chem_all - 23. Outgoing r'ship
FOUND_INto/from Panax Notoginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 24. Outgoing r'ship
FOUND_INto/from Panax Quinquefolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 25. Outgoing r'ship
FOUND_INto/from Pastinaca Sativa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 26. Outgoing r'ship
FOUND_INto/from Petroselinum Crispum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 27. Outgoing r'ship
FOUND_INto/from Polyscias Fruticosa (Plant) Rel Props:Reference:ISBN:9780387706375; ISBN:9788172362461; ISBN:9788185042145 - 28. Outgoing r'ship
FOUND_INto/from Saposhnikovia Divaricata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all