Trianthenol
PubChem CID: 10008310
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| Compound Synonyms | Trianthenol, 333361-85-6, AKOS040762987, (E)-5,9,13,17-tetramethyl-2-(6,10,14-trimethylpentadec-1-en-2-yl)octadec-4-en-1-ol |
|---|---|
| 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 | OCCC=C)CCCCCCCCCCCCC)C)))))C)))))C))))))C/C=C/CCCCCCCCCCCCC)C)))))C)))))C)))))C |
| Heavy Atom Count | 41.0 |
| Classyfire Class | Prenol lipids |
| Classyfire Subclass | Diterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 629.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-5,9,13,17-tetramethyl-2-(6,10,14-trimethylpentadec-1-en-2-yl)octadec-4-en-1-ol |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 17.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C40H78O |
| Inchi Key | GAIFBEYPAFEXOA-DMFHDPHMSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 28.0 |
| Synonyms | trianthenol |
| Esol Class | Insoluble |
| Functional Groups | C/C=C(/C)C, C=C(C)C, CO |
| Compound Name | Trianthenol |
| Exact Mass | 574.605 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 574.605 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 575.0 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C40H78O/c1-32(2)17-11-19-34(5)21-13-23-36(7)25-15-26-38(9)29-30-40(31-41)39(10)28-16-27-37(8)24-14-22-35(6)20-12-18-33(3)4/h29,32-37,40-41H,10-28,30-31H2,1-9H3/b38-29+ |
| Smiles | CC(C)CCCC(C)CCCC(C)CCC/C(=C/CC(CO)C(=C)CCCC(C)CCCC(C)CCCC(C)C)/C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | False |
| Np Classifier Superclass | Diterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Zaleya Decandra (Plant) Rel Props:Reference:ISBN:9789327275590