6,14,15-Trimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one
PubChem CID: 10859838
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Aristolactam bi, 7688-86-0 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 56.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC2CC3CCCCC3C3CCCC1C23 |
| Np Classifier Class | Aporphine alkaloids |
| Deep Smiles | COcccC=O)Ncc5cc9OC)))cccccc6c%10))OC |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Aristolactams |
| Scaffold Graph Node Level | OC1NC2CC3CCCCC3C3CCCC1C23 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 470.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,14,15-trimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one |
| Veber Rule | True |
| Classyfire Superclass | Alkaloids and derivatives |
| Xlogp | 3.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C18H15NO4 |
| Scaffold Graph Node Bond Level | O=C1Nc2cc3ccccc3c3cccc1c23 |
| Inchi Key | DCWZBQMWCAMEEF-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | taliscanine |
| Esol Class | Moderately soluble |
| Functional Groups | cNC(c)=O, cOC |
| Compound Name | 6,14,15-Trimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one |
| Exact Mass | 309.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 309.1 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 309.3 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C18H15NO4/c1-21-13-6-4-5-9-10(13)7-12-15-11(18(20)19-12)8-14(22-2)17(23-3)16(9)15/h4-8H,1-3H3,(H,19,20) |
| Smiles | COC1=CC=CC2=C3C4=C(C=C21)NC(=O)C4=CC(=C3OC)OC |
| 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 Goniothalamus Sesquipedalis (Plant) Rel Props:Reference:ISBN:9788172362300