Tetrahydroaplotaxene
PubChem CID: 11413696
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| Compound Synonyms | Tetrahydroaplotaxene, 1E,8Z-heptadecadiene, heptadeca-1,8cis-diene, (z)-1,8-heptadecadiene, ZCNSOBXQEHNQMJ-ICFOKQHNSA-N, Q67880106 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydrocarbons |
| Deep Smiles | CCCCCCCC/C=CCCCCCC=C |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Olefins |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 167.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (8Z)-heptadeca-1,8-diene |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 8.5 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C17H32 |
| Inchi Key | ZCNSOBXQEHNQMJ-ICFOKQHNSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 13.0 |
| Synonyms | tetrahydroaplotaxene |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=CC, C=CC |
| Compound Name | Tetrahydroaplotaxene |
| Exact Mass | 236.25 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 236.25 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 236.4 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C17H32/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,15,17H,1,4-14,16H2,2H3/b17-15- |
| Smiles | CCCCCCCC/C=C\CCCCCC=C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Cirsium Japonicum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1135