15,16-Dimethoxy-8-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-11,12-dione
PubChem CID: 10495999
Connections displayed (default: 10).
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| Topological Polar Surface Area | 64.599 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 535.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 15,16-dimethoxy-8-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-11,12-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C19H15NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XURJNCATKSWBQE-UHFFFAOYSA-N |
| Fcsp3 | 0.1578947368421052 |
| Logs | -6.685 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.994 |
| Compound Name | 15,16-Dimethoxy-8-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-11,12-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 321.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 321.1 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 321.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.349525066666667 |
| Inchi | InChI=1S/C19H15NO4/c1-9-10-6-4-5-7-11(10)15-14-12(8-13(23-2)18(15)24-3)17(21)19(22)20-16(9)14/h4-8H,1-3H3,(H,20,22) |
| Smiles | CC1=C2C3=C(C4=CC=CC=C14)C(=C(C=C3C(=O)C(=O)N2)OC)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Annona Squamosa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Goniothalamus Griffithii (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Hura Crepitans (Plant) Rel Props:Source_db:cmaup_ingredients