(+)-Oxoturkiyenine
PubChem CID: 189308
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| Compound Synonyms | 115598-75-9, (+)-Oxoturkiyenine, DTXSID80921769, 7-Methyl-2H,2'H,7'H-spiro[1,3-dioxolo[4,5-h][3]benzazepine-6,6'-furo[2,3-e][1,3]benzodioxole]-5,7'(7H)-dione, Spiro(6H-1,3-dioxolo(4,5-h)(3)benzazepine-6,6'(7'H)-furo(2,3-e)(1,3)benzodioxole)-5,7'(7H)-dione, 7-methyl-, (+)- |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 83.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CC2C3CCCC3CCC2C12CCCC1CC3CCCC3CC1C2C |
| Np Classifier Class | Isoquinoline alkaloids |
| Deep Smiles | CNC=CccC=O)C7C=O)Occ5cccc6OCO5)))))))))))))cccc6)OCO5 |
| Heavy Atom Count | 28.0 |
| Classyfire Class | Benzazepines |
| Scaffold Graph Node Level | OC1OC2C3OCOC3CCC2C12NCCC1CC3OCOC3CC1C2O |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 740.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-methylspiro[[1,3]dioxolo[4,5-h][3]benzazepine-6,6'-furo[3,2-g][1,3]benzodioxole]-5,7'-dione |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C20H13NO7 |
| Scaffold Graph Node Bond Level | O=C1Oc2c(ccc3c2OCO3)C12NC=Cc1cc3c(cc1C2=O)OCO3 |
| Inchi Key | ODZKWJNWPLUOKP-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | (+)-oxoturkiyenine |
| Esol Class | Moderately soluble |
| Functional Groups | c1cOCO1, cC(C)=O, cC=CN(C)C, cOC(C)=O |
| Compound Name | (+)-Oxoturkiyenine |
| Exact Mass | 379.069 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 379.069 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 379.3 |
| 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/C20H13NO7/c1-21-5-4-10-6-14-15(26-8-25-14)7-11(10)18(22)20(21)12-2-3-13-17(27-9-24-13)16(12)28-19(20)23/h2-7H,8-9H2,1H3 |
| Smiles | CN1C=CC2=CC3=C(C=C2C(=O)C14C5=C(C6=C(C=C5)OCO6)OC4=O)OCO3 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tyrosine alkaloids |
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