(1S,7R,16R)-16-methoxy-5-oxa-10-azatetracyclo[8.7.0.01,13.02,7]heptadeca-2,12,14-triene-4,11-dione
PubChem CID: 163191255
Connections displayed (default: 10).
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| Topological Polar Surface Area | 55.8 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 618.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1S,7R,16R)-16-methoxy-5-oxa-10-azatetracyclo[8.7.0.01,13.02,7]heptadeca-2,12,14-triene-4,11-dione |
| Prediction Hob | 1.0 |
| Xlogp | -0.3 |
| Molecular Formula | C16H17NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | NMFUSYUBPJMLRH-PKWAYOAASA-N |
| Fcsp3 | 0.5 |
| Logs | -2.932 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.426 |
| Compound Name | (1S,7R,16R)-16-methoxy-5-oxa-10-azatetracyclo[8.7.0.01,13.02,7]heptadeca-2,12,14-triene-4,11-dione |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 287.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 287.116 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 287.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.3915529999999998 |
| Inchi | InChI=1S/C16H17NO4/c1-20-12-3-2-11-6-14(18)17-5-4-10-9-21-15(19)7-13(10)16(11,17)8-12/h2-3,6-7,10,12H,4-5,8-9H2,1H3/t10-,12-,16-/m0/s1 |
| Smiles | CO[C@@H]1C[C@@]23C(=CC(=O)N2CC[C@@H]4C3=CC(=O)OC4)C=C1 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Erythrina Berteroana (Plant) Rel Props:Source_db:cmaup_ingredients