Conessine
| Internal ID | f9f23bbd-f72f-49aa-9ac5-17edfa3b80ef |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal alkaloids > Conanine-type alkaloids |
| IUPAC Name | (1R,2S,5S,6S,9R,12S,13R,16S)-N,N,6,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine |
| SMILES (Canonical) | CC1C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)N(C)C)C)CN1C |
| SMILES (Isomeric) | C[C@H]1[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)N(C)C)C)CN1C |
| InChI | InChI=1S/C24H40N2/c1-16-20-8-9-22-19-7-6-17-14-18(25(3)4)10-12-23(17,2)21(19)11-13-24(20,22)15-26(16)5/h6,16,18-22H,7-15H2,1-5H3/t16-,18-,19+,20+,21-,22-,23-,24-/m0/s1 |
| InChI Key | GPLGAQQQNWMVMM-MYAJQUOBSA-N |
| Popularity | 236 references in papers |
| Molecular Formula | C24H40N2 |
| Molecular Weight | 356.60 g/mol |
| Exact Mass | 356.319149284 g/mol |
| Topological Polar Surface Area (TPSA) | 6.50 Ų |
| XlogP | 4.90 |
| 546-06-5 |
| Roquessine |
| Conessinum |
| Neriine |
| Conessin |
| Wrightine |
| Conessine [INN] |
| Conesina |
| Conesina [INN-Spanish] |
| Conessinum [INN-Latin] |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL1867 | P08913 | Alpha-2a adrenergic receptor |
660.69 nM 660.69 nM |
Ki Ki |
PMID: 18683917
via Super-PRED |
| CHEMBL1916 | P18825 | Alpha-2c adrenergic receptor |
10.6 nM 10.47 nM 10.47 nM |
Ki Ki Ki |
PMID: 18683917
PMID: 18683917 via Super-PRED |
| CHEMBL2903 | P16050 | Arachidonate 15-lipoxygenase |
31622.8 nM |
Potency |
via CMAUP
|
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor |
5.37 nM 5.37 nM 5.37 nM 5.37 nM 3.467 nM |
Ki Ki Ki Ki Ki |
PMID: 18683917
PMID: 19588934 PMID: 18683917 PMID: 19588934 via Super-PRED |
| CHEMBL1963 | P16473 | Thyroid stimulating hormone receptor |
2511.9 nM 2511.9 nM |
Potency Potency |
via CMAUP
via CMAUP |
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.37% | 96.09% |
| CHEMBL4072 | P07858 | Cathepsin B | 91.75% | 93.67% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.55% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.21% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.14% | 95.56% |
| CHEMBL233 | P35372 | Mu opioid receptor | 89.11% | 97.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.00% | 100.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.99% | 93.40% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.30% | 97.14% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 86.94% | 90.71% |
| CHEMBL238 | Q01959 | Dopamine transporter | 86.12% | 95.88% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.33% | 93.99% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.96% | 95.93% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.67% | 83.82% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 82.47% | 96.76% |
| CHEMBL228 | P31645 | Serotonin transporter | 81.89% | 95.51% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.77% | 95.89% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 80.59% | 94.50% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 80.07% | 98.46% |
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.
| PubChem | 441082 |
| NPASS | NPC7214 |
| ChEMBL | CHEMBL191703 |
| LOTUS | LTS0085117 |
| wikiData | Q5159518 |