palmonine C
| Internal ID | 575294a3-70a8-4e1b-b6eb-17ba59ddb83e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Eunicellane and asbestinane diterpenoids |
| IUPAC Name | [(1R,2S,3R,6R,7R,8R,9R,12S,13S)-3,13-dihydroxy-12-methoxy-3,9,13-trimethyl-6-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecan-9-yl] acetate |
| SMILES (Canonical) | CC(C)C1CCC(C2C1C3C(CCC(C(CC2O3)(C)O)OC)(C)OC(=O)C)(C)O |
| SMILES (Isomeric) | CC(C)[C@H]1CC[C@@]([C@H]2[C@@H]1[C@@H]3[C@](CC[C@@H]([C@@](C[C@H]2O3)(C)O)OC)(C)OC(=O)C)(C)O |
| InChI | InChI=1S/C23H40O6/c1-13(2)15-8-10-21(4,25)19-16-12-22(5,26)17(27-7)9-11-23(6,29-14(3)24)20(28-16)18(15)19/h13,15-20,25-26H,8-12H2,1-7H3/t15-,16-,17+,18-,19-,20-,21-,22+,23-/m1/s1 |
| InChI Key | PYEOWRXHJUEZKP-HUDPYBAISA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H40O6 |
| Molecular Weight | 412.60 g/mol |
| Exact Mass | 412.28248899 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 2.60 |
| ((1R,2S,3R,6R,7R,8R,9R,12S,13S)-3,13-dihydroxy-12-methoxy-3,9,13-trimethyl-6-propan-2-yl-15-oxatricyclo(6.6.1.02,7)pentadecan-9-yl) acetate |
| [(1R,2S,3R,6R,7R,8R,9R,12S,13S)-3,13-dihydroxy-12-methoxy-3,9,13-trimethyl-6-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecan-9-yl] acetate |
| RefChem:169756 |
| CHEMBL513545 |
| 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 | 98.22% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.10% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.87% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.62% | 97.25% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.27% | 91.19% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.50% | 91.11% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 89.09% | 97.14% |
| CHEMBL204 | P00734 | Thrombin | 88.92% | 96.01% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 86.06% | 89.05% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 86.00% | 91.24% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.65% | 92.62% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.56% | 94.80% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 84.20% | 97.47% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.96% | 96.38% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.77% | 89.00% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 83.66% | 95.71% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.59% | 89.50% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.27% | 96.77% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.00% | 93.04% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.63% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.58% | 94.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.99% | 95.89% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.77% | 95.71% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.56% | 94.75% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.54% | 95.50% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.12% | 96.61% |
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 | 44559763 |
| LOTUS | LTS0125722 |
| wikiData | Q105216555 |