Julifloricine
PubChem CID: 128344
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| Compound Synonyms | Julifloricine, 66771-80-0, 6-[10-[6-[10-(5-hydroxy-6-methylpiperidin-2-yl)decyl]-1,2,3,5,8,8a-hexahydroindolizin-8-yl]decyl]-2-methylpiperidin-3-ol, 3-Piperidinol, 6,6'-((1,2,3,5,8,8a-hexahydro-6,8-indolizinediyl)di-10,1-decanediyl)bis(2-methyl-, 76202-00-1, Juliflorine 2HCl, 6-(10-(6-(10-(5-hydroxy-6-methylpiperidin-2-yl)decyl)-1,2,3,5,8,8a-hexahydroindolizin-8-yl)decyl)-2-methylpiperidin-3-ol, DTXSID80985341, CHEBI:189335, JULIFLORINE, DIHYDROCHLORIDE, NSC369867, AKOS040746941, NSC-369867, HY-127000, 6,6'-(1,2,3,5,8,8a-Hexahydroindolizine-6,8-diyldi-10,1-decanediyl)bis(2-methyl-3-piperidinol), 6,6'-[1,2,3,5,8,8a-Hexahydroindolizine-6,8-diyldi(decane-10,1-diyl)]bis(2-methylpiperidin-3-ol) |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 67.8 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C(CCCCCC1CC(CCCCCCCCCCC2CCCCC2)C2CCCC2C1)CCCCC1CCCCC1 |
| Np Classifier Class | Indolizidine alkaloids, Piperidine alkaloids |
| Deep Smiles | OCCCCNC6C)))CCCCCCCCCCC=CCCNC6)CCC5)))))CCCCCCCCCCCCCCCN6)C))O |
| Heavy Atom Count | 45.0 |
| Scaffold Graph Node Level | C(CCCCCC1CCCCN1)CCCCC1CC(CCCCCCCCCCC2CCCCN2)C2CCCN2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 804.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-[10-[6-[10-(5-hydroxy-6-methylpiperidin-2-yl)decyl]-1,2,3,5,8,8a-hexahydroindolizin-8-yl]decyl]-2-methylpiperidin-3-ol |
| Veber Rule | False |
| Classyfire Superclass | Alkaloids and derivatives |
| Xlogp | 10.4 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C40H75N3O2 |
| Scaffold Graph Node Bond Level | C1=C(CCCCCCCCCCC2CCCCN2)CN2CCCC2C1CCCCCCCCCCC1CCCCN1 |
| Inchi Key | JOTBJXJGDRSICD-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 22.0 |
| Synonyms | julifloricine, juliflorine, juliprosopine |
| Esol Class | Poorly soluble |
| Functional Groups | CC=C(C)C, CN(C)C, CNC, CO |
| Compound Name | Julifloricine |
| Exact Mass | 629.586 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 629.586 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 630.0 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C40H75N3O2/c1-32-39(44)27-25-36(41-32)22-17-13-9-5-3-7-11-15-20-34-30-35(38-24-19-29-43(38)31-34)21-16-12-8-4-6-10-14-18-23-37-26-28-40(45)33(2)42-37/h30,32-33,35-42,44-45H,3-29,31H2,1-2H3 |
| Smiles | CC1C(CCC(N1)CCCCCCCCCCC2C=C(CN3C2CCC3)CCCCCCCCCCC4CCC(C(N4)C)O)O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Lysine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Prosopis Chilensis (Plant) Rel Props:Reference:ISBN:9788185042084; ISBN:9788185042114 - 2. Outgoing r'ship
FOUND_INto/from Prosopis Farcta (Plant) Rel Props:Reference:ISBN:9788185042114 - 3. Outgoing r'ship
FOUND_INto/from Prosopis Glandulosa (Plant) Rel Props:Reference:ISBN:9788185042114