Glycinoprenol 10
PubChem CID: 14380586
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| Compound Synonyms | Glycinoprenol 10, 121254-97-5, DTXSID101316718 |
|---|---|
| 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=CCC/C=CCC/C=CCC/C=CCC/C=CCC/C=C/CCC[C@@H]CCC[C@@H]CCCCC)C)))))C)))))C)))))C)))))/C)))))/C)))))/C)))))/C)))))/C)))))/C |
| Heavy Atom Count | 51.0 |
| Classyfire Class | Prenol lipids |
| Classyfire Subclass | Polyprenols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1080.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2Z,6Z,10Z,14Z,18Z,22Z,26E,31R,35R)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26-heptaen-1-ol |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 19.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C50H88O |
| Inchi Key | VXLKCFIDVJZHGS-KACQORBASA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 31.0 |
| Synonyms | glycinoprenol-10 |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=C(/C)C, C/C=C(C)C, CO |
| Compound Name | Glycinoprenol 10 |
| Exact Mass | 704.684 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 704.684 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 705.2 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 7.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C50H88O/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40-51/h27,29,31,33,35,37,39,41-43,51H,12-26,28,30,32,34,36,38,40H2,1-11H3/b44-27+,45-29-,46-31-,47-33-,48-35-,49-37-,50-39-/t42-,43-/m1/s1 |
| Smiles | C[C@@H](CCC[C@@H](C)CCC/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)CCCC(C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 7.0 |
| Egan Rule | False |
| Np Classifier Superclass | Polyprenols |
- 1. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Reference:ISBN:9788172362300; ISBN:9788185042138