22-(2-Hydroxypropan-2-yl)-17-methoxy-2,3-dimethyl-25-methylidene-8-prop-1-en-2-yl-11-oxa-31-azanonacyclo[16.13.0.02,16.03,13.06,12.010,12.019,30.020,27.021,24]hentriaconta-1(18),19(30),20(27),28-tetraene-9,13-diol
| Internal ID | 049e5cdf-f532-4795-bd63-b473bef8f762 |
| Taxonomy | Benzenoids > Tetralins |
| IUPAC Name | 22-(2-hydroxypropan-2-yl)-17-methoxy-2,3-dimethyl-25-methylidene-8-prop-1-en-2-yl-11-oxa-31-azanonacyclo[16.13.0.02,16.03,13.06,12.010,12.019,30.020,27.021,24]hentriaconta-1(18),19(30),20(27),28-tetraene-9,13-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C39H51NO5/c1-18(2)22-16-21-11-13-36(6)37(7)24(12-14-38(36,43)39(21)34(45-39)31(22)41)32(44-8)30-29-26(40-33(30)37)10-9-20-15-19(3)23-17-25(35(4,5)42)28(23)27(20)29/h9-10,21-25,28,31-32,34,40-43H,1,3,11-17H2,2,4-8H3 |
| InChI Key | ULAVCJKSVMEGQI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C39H51NO5 |
| Molecular Weight | 613.80 g/mol |
| Exact Mass | 613.37672373 g/mol |
| Topological Polar Surface Area (TPSA) | 98.20 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of 22-(2-Hydroxypropan-2-yl)-17-methoxy-2,3-dimethyl-25-methylidene-8-prop-1-en-2-yl-11-oxa-31-azanonacyclo[16.13.0.02,16.03,13.06,12.010,12.019,30.020,27.021,24]hentriaconta-1(18),19(30),20(27),28-tetraene-9,13-diol](https://plantaedb.com/storage/docs/compounds/2023/11/9493c520-85e3-11ee-a62c-25f8540fa9bd.jpg "2D Structure of 22-(2-Hydroxypropan-2-yl)-17-methoxy-2,3-dimethyl-25-methylidene-8-prop-1-en-2-yl-11-oxa-31-azanonacyclo[16.13.0.02,16.03,13.06,12.010,12.019,30.020,27.021,24]hentriaconta-1(18),19(30),20(27),28-tetraene-9,13-diol")
| 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 | 99.56% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 99.24% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.91% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.81% | 91.11% |
| CHEMBL240 | Q12809 | HERG | 95.81% | 89.76% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 94.63% | 93.04% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.65% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.61% | 95.89% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 92.70% | 98.59% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.33% | 91.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.02% | 94.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.87% | 100.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 88.68% | 97.28% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.22% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.75% | 89.00% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 87.52% | 95.56% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 86.73% | 92.68% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.58% | 91.03% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.03% | 92.94% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.79% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.71% | 98.95% |
| CHEMBL233 | P35372 | Mu opioid receptor | 84.29% | 97.93% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.85% | 95.56% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 82.75% | 92.50% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 82.40% | 85.31% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 81.68% | 94.97% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 80.51% | 94.08% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 80.40% | 89.05% |
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 | 162821758 |
| LOTUS | LTS0186504 |
| wikiData | Q104198327 |