Pseudocopsinine
PubChem CID: 580313
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| Compound Synonyms | Pseudocopsinine, Dihydrovindolinine, Pseudokopsinine, Pseudoervinine, Pseudokopsinin, .psi.-Kopsinine, (-)-Pseudocopsinine, 6,7-Dihydrovindolinine, 14,15-Dihydrovindolinine, CHEMBL4981289, CZLWGXKWXLVFJU-UHFFFAOYSA-N, AKOS024284522, 2,20-Cycloaspidospermidine-3-carboxylic acid, methyl ester, (2.alpha.,3.beta.,5.alpha.,12.beta.,19.alpha.,20R)-, 6H,13aH-3a,5a-Methano-1H-indolizino[8,1-cd]carbazole, 2,20-cycloaspidospermidine-3-carboxylic acid deriv. |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 41.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CC13CCC4(CCCC5CCC21C54)C3 |
| Np Classifier Class | Aspidosperma type |
| Deep Smiles | COC=O)CCCCC5NccC5C8NCC5))CCC%12))))))cccc6))))))))C |
| Heavy Atom Count | 25.0 |
| Classyfire Class | Aspidospermatan-type alkaloids |
| Scaffold Graph Node Level | C1CCC2C(C1)NC13CCC4(CCCN5CCC21C54)C3 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 637.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 20-methyl-8,16-diazahexacyclo[10.6.1.19,12.01,9.02,7.016,19]icosa-2,4,6-triene-10-carboxylate |
| Veber Rule | True |
| Classyfire Superclass | Alkaloids and derivatives |
| Xlogp | 3.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C21H26N2O2 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)NC13CCC4(CCCN5CCC21C54)C3 |
| Inchi Key | CZLWGXKWXLVFJU-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | dihydrovindolinine |
| Esol Class | Soluble |
| Functional Groups | CN(C)C, COC(C)=O, cNC |
| Compound Name | Pseudocopsinine |
| Exact Mass | 338.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 338.199 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 338.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C21H26N2O2/c1-13-19-8-5-10-23-11-9-20(18(19)23)14-6-3-4-7-16(14)22-21(13,20)15(12-19)17(24)25-2/h3-4,6-7,13,15,18,22H,5,8-12H2,1-2H3 |
| Smiles | CC1C23CCCN4C2C5(C1(C(C3)C(=O)OC)NC6=CC=CC=C65)CC4 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tryptophan alkaloids |
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