(2Z,6E)-3,7,11,15,19-Pentamethyl-2,6-eicosadien-1-ol
PubChem CID: 57418214
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| Compound Synonyms | (2Z,6E)-3,7,11,15,19-Pentamethyl-2,6-eicosadien-1-ol, (2E,6E)-3,7,11,15,19-pentamethylicosa-2,6-dien-1-ol, 2,5-Diiodo-benzoic acid, CHEBI:180801 |
|---|---|
| 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 | Phytane diterpenoids |
| Deep Smiles | OC/C=C/CC/C=C/CCCCCCCCCCCCC)C)))))C)))))C)))))C)))))C |
| Heavy Atom Count | 26.0 |
| Classyfire Class | Prenol lipids |
| Description | Constituent of the leaves of Solanum tuberosum (potato). (2Z,6E)-3,7,11,15,19-Pentamethyl-2,6-eicosadien-1-ol is found in alcoholic beverages and potato. |
| Classyfire Subclass | Sesterterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 378.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,6E)-3,7,11,15,19-pentamethylicosa-2,6-dien-1-ol |
| Class | Prenol lipids |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 10.0 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Sesterterpenoids |
| Gsk 4 400 Rule | False |
| Molecular Formula | C25H48O |
| Inchi Key | QVAALZYWZYXTTP-OCQYTUGVSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 16.0 |
| Synonyms | 2,5-Diiodo-benzoic acid, 2,5-DIIODOBENZOIC ACID, Benzoic acid, 2,5-diiodo-, 2,5-diiodo-Benzoic acid, (2z,6e)-3,7,11,15,19-pentamethyl-2,6-eicosadien-1-ol |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=C(/C)C, CO |
| Compound Name | (2Z,6E)-3,7,11,15,19-Pentamethyl-2,6-eicosadien-1-ol |
| Kingdom | Organic compounds |
| Exact Mass | 364.371 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 364.371 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 364.6 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 2.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C25H48O/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-26/h17,19,21-23,26H,7-16,18,20H2,1-6H3/b24-17+,25-19+ |
| Smiles | CC(C)CCCC(C)CCCC(C)CCC/C(=C/CC/C(=C/CO)/C)/C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Sesterterpenoids |
| Np Classifier Superclass | Diterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Reference:https://doi.org/10.2174/0929867033456729