Glycinoprenol-9
PubChem CID: 9547193
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| Compound Synonyms | Glycinoprenol-9, LMPR03040008 |
|---|---|
| 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 | Polyprenol derivatives |
| Deep Smiles | OC/C=CCC/C=CCC/C=CCC/C=CCC/C=CCC/C=C/CCCCCCCCCCCCC)C)))))C)))))C)))))C)))))/C)))))/C)))))/C)))))/C)))))/C |
| Heavy Atom Count | 46.0 |
| Classyfire Class | Prenol lipids |
| Classyfire Subclass | Polyprenols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 934.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2Z,6Z,10Z,14Z,18Z,22E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22-hexaen-1-ol |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 17.5 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C45H80O |
| Inchi Key | FWVIPKAFIXXKIW-ZSCINCOVSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 28.0 |
| Synonyms | glycinoprenol-9 |
| Esol Class | Poorly soluble |
| Functional Groups | C/C=C(/C)C, C/C=C(C)C, CO |
| Compound Name | Glycinoprenol-9 |
| Exact Mass | 636.621 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 636.621 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 637.1 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 6.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C45H80O/c1-37(2)19-11-20-38(3)21-12-22-39(4)23-13-24-40(5)25-14-26-41(6)27-15-28-42(7)29-16-30-43(8)31-17-32-44(9)33-18-34-45(10)35-36-46/h25,27,29,31,33,35,37-39,46H,11-24,26,28,30,32,34,36H2,1-10H3/b40-25+,41-27-,42-29-,43-31-,44-33-,45-35- |
| 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\CO)/C)/C)/C)/C)/C)/C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 6.0 |
| Egan Rule | False |
| Np Classifier Superclass | Polyprenols |
- 1. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Reference:ISBN:9788172362300; ISBN:9788185042138