Oliveramine
PubChem CID: 71437678
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| Compound Synonyms | 41645-64-1, Oliveramine, 5-(3-(1-oxo-3,4-dihydropyrano(3,4-c)pyridin-5-yl)butyl)-3,4-dihydropyrano(3,4-c)pyridin-1-one, 5-[3-(1-oxo-3,4-dihydropyrano[3,4-c]pyridin-5-yl)butyl]-3,4-dihydropyrano[3,4-c]pyridin-1-one, 5,5'-(1-Methyl-1,3-propanediyl)bis[3,4-dihydro-1H-pyrano[3,4-c]pyridin-1-one] |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 78.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CCCC2C(CCCC3CCCC4C(C)CCCC34)CCCC12 |
| Np Classifier Class | Pyridine alkaloids |
| Deep Smiles | O=COCCcc6cncc6CCCccnccc6CCOC6=O)))))))))))C |
| Heavy Atom Count | 26.0 |
| Classyfire Class | Pyranopyridines |
| Scaffold Graph Node Level | OC1OCCC2C(CCCC3CNCC4C(O)OCCC34)CNCC12 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 540.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[3-(1-oxo-3,4-dihydropyrano[3,4-c]pyridin-5-yl)butyl]-3,4-dihydropyrano[3,4-c]pyridin-1-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C20H20N2O4 |
| Scaffold Graph Node Bond Level | O=C1OCCc2c(CCCc3cncc4c3CCOC4=O)cncc21 |
| Inchi Key | QMWNJTAFPCJRKK-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | oliveramine |
| Esol Class | Soluble |
| Functional Groups | cC(=O)OC, cnc |
| Compound Name | Oliveramine |
| Exact Mass | 352.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 352.142 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 352.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C20H20N2O4/c1-12(16-9-22-11-18-15(16)5-7-26-20(18)24)2-3-13-8-21-10-17-14(13)4-6-25-19(17)23/h8-12H,2-7H2,1H3 |
| Smiles | CC(CCC1=CN=CC2=C1CCOC2=O)C3=C4CCOC(=O)C4=CN=C3 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Nicotinic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Gentiana Olivieri (Plant) Rel Props:Reference:ISBN:9788185042084