Undecaprenol
PubChem CID: 5280474
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| Compound Synonyms | undecaprenol, Ficaprenol, all-trans-undecaprenol, 15575-14-1, (2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-ol, CHEBI:16591, UNDECAPRENOL FROM AILANTHUS ALTISSIMA, 3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2E,6E,10E,14E,18E,22E,26E,30E,34E,38E,42-undecaen-1-ol, Moraprenol 11, Ficaprel 11, 3,7,11,15,19,23,27,31,35,39,43-Undecamethyl-2,6,10,14,18,22,26,30,34,38,42-tetratetracontaun cecaen-1-ol, 3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-ol, C55 Prenol, 50426-50-1, SCHEMBL788109, TXKJNHBRVLCYFX-RDQGWRCRSA-N, LMPR03010007, HY-154858, Q27101987, 630-882-8 |
|---|---|
| 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 | Bactoprenols |
| Deep Smiles | OC/C=C/CC/C=C/CC/C=C/CC/C=C/CC/C=C/CC/C=C/CC/C=C/CC/C=C/CC/C=C/CC/C=C/CCC=CC)C)))))C)))))C)))))C)))))C)))))C)))))C)))))C)))))C)))))C)))))C |
| Heavy Atom Count | 56.0 |
| Classyfire Class | Prenol lipids |
| Classyfire Subclass | Polyprenols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1410.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-ol |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 19.6 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C55H90O |
| Inchi Key | TXKJNHBRVLCYFX-RDQGWRCRSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 31.0 |
| Synonyms | ficaprenol |
| Esol Class | Poorly soluble |
| Functional Groups | C/C=C(/C)C, CC=C(C)C, CO |
| Compound Name | Undecaprenol |
| Exact Mass | 766.699 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 766.699 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 767.3 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 10.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C55H90O/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/h23,25,27,29,31,33,35,37,39,41,43,56H,13-22,24,26,28,30,32,34,36,38,40,42,44H2,1-12H3/b46-25+,47-27+,48-29+,49-31+,50-33+,51-35+,52-37+,53-39+,54-41+,55-43+ |
| Smiles | CC(=CCC/C(=C/CC/C(=C/CC/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)/C)/C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 10.0 |
| Egan Rule | False |
| Np Classifier Superclass | Polyprenols |
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