Mappicine
PubChem CID: 189144
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| Compound Synonyms | Mappicine, 54318-59-1, DTXSID00969380, 7-(1-Hydroxypropyl)-8-methylindolizino(1,2-b)quinolin-9(11H)-one, 7-(1-Hydroxypropyl)-8-methylindolizino[1,2-b]quinolin-9(11H)-one, DTXCID901396934, 7-[(1S)-1-hydroxypropyl]-8-methyl-11H-indolizino[1,2-b]quinolin-9-one |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 53.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCC2C1CC1CC3CCCCC3CC12 |
| Np Classifier Class | Pyrroloquinoline alkaloids |
| Deep Smiles | CC[C@@H]ccc-cncccccc6cc%10Cn%13c=O)c%17C))))))))))))))))))O |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Quinolines and derivatives |
| Scaffold Graph Node Level | OC1CCCC2C3NC4CCCCC4CC3CN12 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 580.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 7-[(1S)-1-hydroxypropyl]-8-methyl-11H-indolizino[1,2-b]quinolin-9-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C19H18N2O2 |
| Scaffold Graph Node Bond Level | O=c1cccc2n1Cc1cc3ccccc3nc1-2 |
| Inchi Key | WSXJPXFVULHYMX-KRWDZBQOSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | mappicine |
| Esol Class | Soluble |
| Functional Groups | CO, c=O, cn(c)C, cnc |
| Compound Name | Mappicine |
| Exact Mass | 306.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 306.137 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 306.4 |
| 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/C19H18N2O2/c1-3-17(22)14-9-16-18-13(10-21(16)19(23)11(14)2)8-12-6-4-5-7-15(12)20-18/h4-9,17,22H,3,10H2,1-2H3/t17-/m0/s1 |
| Smiles | CC[C@@H](C1=C(C(=O)N2CC3=CC4=CC=CC=C4N=C3C2=C1)C)O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tryptophan alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Nothapodytes Nimmoniana (Plant) Rel Props:Reference:ISBN:9788185042084