Majoridin
PubChem CID: 5379619
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| Compound Synonyms | Majoridine, Majoridin, SGXOBVVNZTTYAF-WLRTZDKTSA-N, (19Z)-10-Methoxyajmal-19-en-17-yl acetate # |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 42.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC2C3CC45CC3C1CC2C4CC1CCCCC15 |
| Np Classifier Class | Corynanthe type |
| Deep Smiles | C/C=CCNCCC6CC6CCC7OC=O)C))))C8)ccN5C))cccc6)OC |
| Heavy Atom Count | 28.0 |
| Classyfire Class | Ajmaline-sarpagine alkaloids |
| Scaffold Graph Node Level | CC1CN2C3CC45CC3C1CC2C4NC1CCCCC15 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 737.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(13Z)-13-ethylidene-4-methoxy-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-trien-18-yl] acetate |
| Veber Rule | True |
| Classyfire Superclass | Alkaloids and derivatives |
| Xlogp | 2.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C23H28N2O3 |
| Scaffold Graph Node Bond Level | C=C1CN2C3CC45CC3C1CC2C4Nc1ccccc15 |
| Inchi Key | SGXOBVVNZTTYAF-WLRTZDKTSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | majoridin, majoridine |
| Esol Class | Soluble |
| Functional Groups | C/C=C(/C)C, CN(C)C, COC(C)=O, cN(C)C, cOC |
| Compound Name | Majoridin |
| Exact Mass | 380.21 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 380.21 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 380.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C23H28N2O3/c1-5-13-11-25-18-9-15(13)20-19(25)10-23(22(20)28-12(2)26)16-8-14(27-4)6-7-17(16)24(3)21(18)23/h5-8,15,18-22H,9-11H2,1-4H3/b13-5+ |
| Smiles | C/C=C/1\CN2C3CC1C4C2CC5(C3N(C6=C5C=C(C=C6)OC)C)C4OC(=O)C |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tryptophan alkaloids |
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FOUND_INto/from Vinca Major (Plant) Rel Props:Reference:ISBN:9780387706375