13-Hydroxymultiflorine
PubChem CID: 85280874
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| Compound Synonyms | 13-Hydroxymultiflorine, XSWCLXUQXOJCGT-UHFFFAOYSA-N |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 43.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC2CC3CC(CC4CCCCC43)C2C1 |
| Np Classifier Class | Quinolizidine alkaloids |
| Deep Smiles | OCCCNCC6)CCCC6)CNC6)CCC=O)C6 |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Lupin alkaloids |
| Scaffold Graph Node Level | OC1CCN2CC3CC(CN4CCCCC34)C2C1 |
| Classyfire Subclass | Sparteine, lupanine, and related alkaloids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 386.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-one |
| Veber Rule | True |
| Classyfire Superclass | Alkaloids and derivatives |
| Xlogp | 0.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H24N2O2 |
| Scaffold Graph Node Bond Level | O=C1CCN2CC3CC(CN4CCCCC34)C2C1 |
| Inchi Key | XSWCLXUQXOJCGT-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 13-hydroxymultiflorone |
| Esol Class | Very soluble |
| Functional Groups | CC(C)=O, CN(C)C, CO |
| Compound Name | 13-Hydroxymultiflorine |
| Exact Mass | 264.184 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 264.184 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 264.36 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H24N2O2/c18-12-1-3-16-8-10-5-11(14(16)6-12)9-17-4-2-13(19)7-15(10)17/h10-12,14-15,18H,1-9H2 |
| Smiles | C1CN2CC3CC(C2CC1O)CN4C3CC(=O)CC4 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Lysine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Lupinus Albus (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279