Morphinandienone
PubChem CID: 129643886
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| Compound Synonyms | morphinandienone |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 29.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCC2C3CCCC12C1CCCCC1C3 |
| Np Classifier Class | Isoquinoline alkaloids |
| Deep Smiles | O=CC=CC=C[C@]6CCN[C@@H]6Ccc8cccc6 |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Morphinans |
| Scaffold Graph Node Level | OC1CCCC2C3CC4CCCCC4C12CCN3 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 450.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,9R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,10,12-pentaen-14-one |
| Veber Rule | True |
| Classyfire Superclass | Alkaloids and derivatives |
| Xlogp | 1.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H15NO |
| Scaffold Graph Node Bond Level | O=C1C=CC=C2C3Cc4ccccc4C12CCN3 |
| Inchi Key | ZELDKFMKOMJOEU-GDBMZVCRSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | morphinandienone |
| Esol Class | Soluble |
| Functional Groups | CC1=CC=CC(=O)C1, CNC |
| Compound Name | Morphinandienone |
| Exact Mass | 237.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 237.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 237.3 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C16H15NO/c18-15-7-3-6-13-14-10-11-4-1-2-5-12(11)16(13,15)8-9-17-14/h1-7,14,17H,8-10H2/t14-,16-/m1/s1 |
| Smiles | C1CN[C@@H]2CC3=CC=CC=C3[C@@]14C2=CC=CC4=O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tyrosine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Cocculus Laurifolius (Plant) Rel Props:Reference:ISBN:9770972795006