Niduterpenoid B
| Internal ID | a4945696-c804-4c24-ab54-ba796cb3ab75 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Triquinane sesquiterpenoids > Angular triquinanes |
| IUPAC Name | (1S,2S,5S,8S,9S,10S,11S,12R,13S,14S,16R,17S)-16-(2-hydroxypropan-2-yl)-5,9,10,13-tetramethylhexacyclo[9.7.0.02,6.02,9.012,17.013,17]octadecane-5,8,14-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H40O4/c1-12-18-13(24-8-7-21(4,29)15(24)10-16(26)22(12,24)5)11-25-14(20(2,3)28)9-17(27)23(25,6)19(18)25/h12-19,26-29H,7-11H2,1-6H3/t12-,13-,14-,15?,16-,17-,18-,19-,21-,22+,23-,24-,25+/m0/s1 |
| InChI Key | PTGRSEKFBBYBMB-NJHNOLDWSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H40O4 |
| Molecular Weight | 404.60 g/mol |
| Exact Mass | 404.29265975 g/mol |
| Topological Polar Surface Area (TPSA) | 80.90 Ų |
| XlogP | 2.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.27% | 97.25% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 95.26% | 97.64% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 94.82% | 96.61% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 93.89% | 97.79% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 93.80% | 89.05% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.71% | 91.11% |
| CHEMBL238 | Q01959 | Dopamine transporter | 89.24% | 95.88% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.83% | 96.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.34% | 97.09% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 88.10% | 98.35% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.56% | 100.00% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 86.20% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.26% | 92.94% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 84.60% | 95.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.21% | 96.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.48% | 97.14% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.88% | 82.69% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.70% | 90.17% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 81.13% | 92.68% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 80.64% | 98.03% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.39% | 96.43% |
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.
| There are no matching plants. |
| PubChem | 146683181 |
| LOTUS | LTS0093829 |
| wikiData | Q105214635 |