Cammaconine
Internal ID | 5a6349d2-603f-4456-8ed1-3f1c90476494 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Aconitane-type diterpenoid alkaloids |
IUPAC Name | (1S,2R,3R,4S,5S,6S,8S,9S,13S,16S,17R)-11-ethyl-13-(hydroxymethyl)-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8-diol |
SMILES (Canonical) | CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4C5C6O)OC)O)OC)CO |
SMILES (Isomeric) | CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2C[C@@H](C31)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6O)OC)O)OC)CO |
InChI | InChI=1S/C23H37NO5/c1-4-24-10-21(11-25)6-5-17(29-3)23-13-7-12-15(28-2)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19+,20?,21+,22+,23-/m1/s1 |
InChI Key | WCEASIFXIDFWHE-JPAZAREGSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C23H37NO5 |
Molecular Weight | 407.50 g/mol |
Exact Mass | 407.26717328 g/mol |
Topological Polar Surface Area (TPSA) | 82.40 Ų |
XlogP | 0.40 |
Columbiananine |
C08666 |
CHEBI:3340 |
DTXSID70954021 |
Q27106034 |
20-ethyl-4-(hydroxymethyl)-1,16-dimethoxyaconitane-8,14-diol |
(1S,2R,3R,4S,5S,6S,8S,9S,13S,16S,17R)-11-ethyl-13-(hydroxymethyl)-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8-diol |
![2D Structure of Cammaconine 2D Structure of Cammaconine](https://plantaedb.com/storage/docs/compounds/2023/11/cammaconine.jpg)
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 | 99.19% | 96.09% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.59% | 97.25% |
CHEMBL204 | P00734 | Thrombin | 97.58% | 96.01% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.24% | 85.14% |
CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 93.21% | 91.03% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 92.76% | 96.38% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.50% | 97.09% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 91.91% | 95.93% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.61% | 83.82% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.99% | 92.94% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.26% | 100.00% |
CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 89.69% | 95.36% |
CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 89.39% | 95.58% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.45% | 95.89% |
CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 87.57% | 87.16% |
CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 86.39% | 100.00% |
CHEMBL2730 | P21980 | Protein-glutamine gamma-glutamyltransferase | 85.63% | 92.38% |
CHEMBL3820 | P35557 | Hexokinase type IV | 85.07% | 91.96% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.96% | 90.17% |
CHEMBL1871 | P10275 | Androgen Receptor | 83.98% | 96.43% |
CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 82.77% | 95.83% |
CHEMBL259 | P32245 | Melanocortin receptor 4 | 82.65% | 95.38% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.63% | 96.61% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.39% | 95.89% |
CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.22% | 97.50% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.15% | 97.14% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.47% | 92.62% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.64% | 89.62% |
CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.49% | 90.24% |
CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 80.37% | 98.99% |
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.
Aconitum columbianum |
Aconitum contortum |
Aconitum dolichorhynchum |
Aconitum forrestii |
Aconitum karakolicum |
Aconitum liljestrandii |
Aconitum orientale |
Aconitum talassicum |
Hansenia weberbaueriana |
PubChem | 441715 |
LOTUS | LTS0076777 |
wikiData | Q27106034 |