Microgrewiapine A
PubChem CID: 71576920
Connections displayed (default: 10).
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| Compound Synonyms | Microgrewiapine A, 1420777-30-5, CHEMBL2334868, HY-N10132, AKOS040763515, DA-65451, CS-0311188, (2S,3R,6S)-6-[(1E,3E,5E)-deca-1,3,5-trienyl]-1,2-dimethylpiperidin-3-ol |
|---|---|
| Topological Polar Surface Area | 23.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 319.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Uniprot Id | P43681, P32297 |
| Iupac Name | (2S,3R,6S)-6-[(1E,3E,5E)-deca-1,3,5-trienyl]-1,2-dimethylpiperidin-3-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C17H29NO |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZBJGGLXQNXXXRO-VCZRHBNQSA-N |
| Fcsp3 | 0.6470588235294118 |
| Logs | -2.304 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.303 |
| Compound Name | Microgrewiapine A |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 263.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 263.225 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 263.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -3.7736349999999996 |
| Inchi | InChI=1S/C17H29NO/c1-4-5-6-7-8-9-10-11-12-16-13-14-17(19)15(2)18(16)3/h7-12,15-17,19H,4-6,13-14H2,1-3H3/b8-7+,10-9+,12-11+/t15-,16+,17+/m0/s1 |
| Smiles | CCCC/C=C/C=C/C=C/[C@@H]1CC[C@H]([C@@H](N1C)C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 3.0 |
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