(1R,4Z,6R,7R,17S)-4-ethylidene-7-hydroxy-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
PubChem CID: 162954116
Connections displayed (default: 10).
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| Topological Polar Surface Area | 76.1 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 567.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1R,4Z,6R,7R,17S)-4-ethylidene-7-hydroxy-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione |
| Prediction Hob | 1.0 |
| Xlogp | 0.9 |
| Molecular Formula | C17H23NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GDNOZPZFNGELHS-YWLZNFDXSA-N |
| Fcsp3 | 0.6470588235294118 |
| Logs | -1.287 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.708 |
| Compound Name | (1R,4Z,6R,7R,17S)-4-ethylidene-7-hydroxy-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 321.158 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 321.158 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 321.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.3995126 |
| Inchi | InChI=1S/C17H23NO5/c1-3-11-8-10(2)15(19)17(21)22-9-12-4-6-18-7-5-13(14(12)18)23-16(11)20/h3-4,10,13-15,19H,5-9H2,1-2H3/b11-3-/t10-,13-,14+,15-/m1/s1 |
| Smiles | C/C=C\1/C[C@H]([C@H](C(=O)OCC2=CCN3[C@@H]2[C@@H](CC3)OC1=O)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Podocarpus Nakaii (Plant) Rel Props:Source_db:cmaup_ingredients