Glycinoprenol 11
PubChem CID: 131752393
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| Compound Synonyms | Glycinoprenol 11 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Dolichols, Polyprenol derivatives |
| Deep Smiles | OC/C=CCC/C=C/CC/C=C/CC/C=C/CC/C=CCC/C=CCC/C=CCC/C=C/CCCCCCCCCCCCC)C)))))C)))))C)))))C)))))/C)))))/C)))))/C)))))C)))))C)))))C)))))/C |
| Heavy Atom Count | 56.0 |
| Classyfire Class | Prenol lipids |
| Description | Constituent of Glycine max (soybean). Glycinoprenol 11 is found in soy bean and pulses. |
| Classyfire Subclass | Polyprenols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1240.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2Z,6E,10E,14E,18Z,22Z,26Z,30E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30-octaen-1-ol |
| Class | Prenol lipids |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 21.2 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Polyprenols |
| Gsk 4 400 Rule | False |
| Molecular Formula | C55H96O |
| Inchi Key | UXICBYIGXYAKQO-DGDFVRFVSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 34.0 |
| Synonyms | glycinoprenol-11 |
| Esol Class | Very soluble |
| Functional Groups | C/C=C(/C)C, C/C=C(C)C, CO |
| Compound Name | Glycinoprenol 11 |
| Kingdom | Organic compounds |
| Exact Mass | 772.746 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 772.746 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 773.3 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 8.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C55H96O/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-56/h29,31,33,35,37,39,41,43,45-47,56H,13-28,30,32,34,36,38,40,42,44H2,1-12H3/b48-29+,49-31-,50-33-,51-35-,52-37+,53-39+,54-41+,55-43- |
| Smiles | CC(C)CCCC(C)CCCC(C)CCC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C\CO)/C)/C)/C)/C)/C)/C)/C)/C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 8.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Polyprenols |
| Np Classifier Superclass | Polyprenols |
- 1. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:fooddb_chem_all