Brevicompanine D
| Internal ID | aa674e7d-3cb2-4bb3-8c87-85aa461b5bc2 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyrroloindoles |
| IUPAC Name | (1S,4S,7S,9R)-16-(methoxymethyl)-9-(2-methylbut-3-en-2-yl)-4-(2-methylpropyl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione |
| SMILES (Canonical) | CC(C)CC1C(=O)N2C(CC3(C2N(C4=CC=CC=C43)COC)C(C)(C)C=C)C(=O)N1 |
| SMILES (Isomeric) | CC(C)C[C@H]1C(=O)N2[C@@H](C[C@@]3([C@H]2N(C4=CC=CC=C43)COC)C(C)(C)C=C)C(=O)N1 |
| InChI | InChI=1S/C24H33N3O3/c1-7-23(4,5)24-13-19-20(28)25-17(12-15(2)3)21(29)27(19)22(24)26(14-30-6)18-11-9-8-10-16(18)24/h7-11,15,17,19,22H,1,12-14H2,2-6H3,(H,25,28)/t17-,19-,22-,24+/m0/s1 |
| InChI Key | XKVYLKJFRXEXTN-UNBWHIKDSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H33N3O3 |
| Molecular Weight | 411.50 g/mol |
| Exact Mass | 411.25219192 g/mol |
| Topological Polar Surface Area (TPSA) | 61.90 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
| 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 | 98.32% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.09% | 98.95% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 96.09% | 92.97% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.20% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.90% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.94% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.52% | 91.11% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 92.38% | 97.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.34% | 94.75% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 90.53% | 90.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.61% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.36% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.91% | 82.69% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 84.07% | 97.05% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.62% | 90.24% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.99% | 93.40% |
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 | 44203521 |
| LOTUS | LTS0092437 |
| wikiData | Q77504607 |