12-Methoxy-1,2,8,9-tetrahydroindolo[7a,1-a]isoquinolin-6-one
PubChem CID: 10539760
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | AKOS025119988 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC2CCCCC23C1CCC1CCCCC13 |
| Np Classifier Class | Indolizidine alkaloids |
| Deep Smiles | COcccccc6)CCCC=CC6=CC=O)N9CC%13 |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Erythrina alkaloids |
| Scaffold Graph Node Level | OC1CC2CCCCC23C2CCCCC2CCN13 |
| Classyfire Subclass | Erythrinanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 495.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 12-methoxy-1,2,8,9-tetrahydroindolo[7a,1-a]isoquinolin-6-one |
| Veber Rule | True |
| Classyfire Superclass | Alkaloids and derivatives |
| Xlogp | 2.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C17H17NO2 |
| Scaffold Graph Node Bond Level | O=C1C=C2C=CCCC23c2ccccc2CCN13 |
| Inchi Key | ZQDRZDNVDHPYTB-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | erythromotidienone |
| Esol Class | Soluble |
| Functional Groups | CC=CC1=CC(=O)N(C)C1, cOC |
| Compound Name | 12-Methoxy-1,2,8,9-tetrahydroindolo[7a,1-a]isoquinolin-6-one |
| Exact Mass | 267.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 267.126 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 267.32 |
| 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/C17H17NO2/c1-20-14-6-5-12-7-9-18-16(19)10-13-4-2-3-8-17(13,18)15(12)11-14/h2,4-6,10-11H,3,7-9H2,1H3 |
| Smiles | COC1=CC2=C(CCN3C24CCC=CC4=CC3=O)C=C1 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Lysine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Erythrina Variegata (Plant) Rel Props:Reference:ISBN:9788171360536