Bohemamine I
| Internal ID | b2fe7358-2248-42c6-bd61-0a187a011388 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Benzamides |
| IUPAC Name | N-[(5S,8S)-5,8-dimethyl-1-oxo-6,7-dihydro-5H-pyrrolizin-3-yl]benzamide |
| SMILES (Canonical) | CC1CCC2(N1C(=CC2=O)NC(=O)C3=CC=CC=C3)C |
| SMILES (Isomeric) | C[C@H]1CC[C@@]2(N1C(=CC2=O)NC(=O)C3=CC=CC=C3)C |
| InChI | InChI=1S/C16H18N2O2/c1-11-8-9-16(2)13(19)10-14(18(11)16)17-15(20)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,17,20)/t11-,16-/m0/s1 |
| InChI Key | PEXUBHPWKDESOU-ZBEGNZNMSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C16H18N2O2 |
| Molecular Weight | 270.33 g/mol |
| Exact Mass | 270.136827821 g/mol |
| Topological Polar Surface Area (TPSA) | 49.40 Ų |
| XlogP | 2.40 |
| CHEMBL3819460 |
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.27% | 90.17% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 91.20% | 81.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.94% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.65% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.74% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.48% | 98.95% |
| CHEMBL5028 | O14672 | ADAM10 | 85.55% | 97.50% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 84.51% | 87.67% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.03% | 97.14% |
| CHEMBL1859 | O95180 | Voltage-gated T-type calcium channel alpha-1H subunit | 82.46% | 98.57% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.02% | 93.03% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.98% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.98% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.70% | 91.19% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.64% | 98.75% |
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.
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| There are no matching plants. |
| PubChem | 127050627 |
| LOTUS | LTS0055645 |
| wikiData | Q105207483 |