(+-)-Teframidine
PubChem CID: 436140
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| Compound Synonyms | (+-)-Teframidine, NSC383454, NSC-383454 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 40.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2CC3CC4CCC(C3CC2C1)C1CC2CCCC2CC41 |
| Np Classifier Class | Isoquinoline alkaloids |
| Deep Smiles | CNCCccCC7cc7cccc6)OCO5))))))))))cccc6)OCO5 |
| Heavy Atom Count | 24.0 |
| Classyfire Class | Dibenzocycloheptenes |
| Scaffold Graph Node Level | C1OC2CC3CC4NCC(C3CC2O1)C1CC2OCOC2CC41 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 516.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 23-methyl-5,7,16,18-tetraoxa-23-azahexacyclo[10.9.2.02,10.04,8.013,21.015,19]tricosa-2,4(8),9,13,15(19),20-hexaene |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C19H17NO4 |
| Scaffold Graph Node Bond Level | c1c2c(cc3c1OCO3)C1CNC(C2)c2cc3c(cc21)OCO3 |
| Inchi Key | VCIZOTXPSIGTKG-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | reframidine |
| Esol Class | Moderately soluble |
| Functional Groups | CN(C)C, c1cOCO1 |
| Compound Name | (+-)-Teframidine |
| Exact Mass | 323.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 323.116 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 323.3 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C19H17NO4/c1-20-7-14-11-4-17-16(21-8-22-17)3-10(11)2-15(20)13-6-19-18(5-12(13)14)23-9-24-19/h3-6,14-15H,2,7-9H2,1H3 |
| Smiles | CN1CC2C3=CC4=C(C=C3CC1C5=CC6=C(C=C25)OCO6)OCO4 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tyrosine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Papaver Rhoeas (Plant) Rel Props:Reference:ISBN:9788185042114 - 2. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Reference:ISBN:9788185042114