Microgrewiapine B
| Internal ID | fa5ed2a7-88b9-4109-9ca3-24ec3889c3d7 |
| Taxonomy | Organoheterocyclic compounds > Piperidines |
| IUPAC Name | (2S,3R,6S)-6-[(1E,3E,5E)-deca-1,3,5-trienyl]-1,2-dimethyl-1-oxidopiperidin-1-ium-3-ol |
| SMILES (Canonical) | CCCCC=CC=CC=CC1CCC(C([N+]1(C)[O-])C)O |
| SMILES (Isomeric) | CCCC/C=C/C=C/C=C/[C@@H]1CC[C@H]([C@@H]([N+]1(C)[O-])C)O |
| InChI | InChI=1S/C17H29NO2/c1-4-5-6-7-8-9-10-11-12-16-13-14-17(19)15(2)18(16,3)20/h7-12,15-17,19H,4-6,13-14H2,1-3H3/b8-7+,10-9+,12-11+/t15-,16+,17+,18?/m0/s1 |
| InChI Key | LZZRCKFXUQNNGN-HXHJOQRJSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C17H29NO2 |
| Molecular Weight | 279.40 g/mol |
| Exact Mass | 279.219829168 g/mol |
| Topological Polar Surface Area (TPSA) | 38.30 Ų |
| XlogP | 3.70 |
| CHEMBL2334869 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.11% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.85% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.94% | 97.25% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.97% | 99.17% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.25% | 92.94% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 87.81% | 92.86% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.32% | 95.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.75% | 97.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.58% | 93.56% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 82.16% | 86.67% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.56% | 96.95% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.36% | 96.38% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.12% | 100.00% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 80.92% | 96.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 80.06% | 92.08% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Microcos paniculata |
| PubChem | 71578971 |
| LOTUS | LTS0123530 |
| wikiData | Q105160242 |