6-(6-Hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)-2-methylhept-3-ene-2,5-diol
| Internal ID | c692bbd2-9efc-4c61-a339-9272d1c20927 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | 6-(6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)-2-methylhept-3-ene-2,5-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H50O3/c1-19(21(31)11-13-25(2,3)33)20-10-14-28(7)23-9-8-22-26(4,5)24(32)12-15-29(22)18-30(23,29)17-16-27(20,28)6/h11,13,19-24,31-33H,8-10,12,14-18H2,1-7H3 |
| InChI Key | JQQHNCBIPFJTGF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H50O3 |
| Molecular Weight | 458.70 g/mol |
| Exact Mass | 458.37599545 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | 6.80 |
| There are no found synonyms. |
![2D Structure of 6-(6-Hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)-2-methylhept-3-ene-2,5-diol](https://plantaedb.com/storage/docs/compounds/2023/11/9c7aaa70-85ef-11ee-941e-255b037c7f58.jpg "2D Structure of 6-(6-Hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)-2-methylhept-3-ene-2,5-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 | 99.63% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.42% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.27% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.32% | 98.95% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 90.04% | 95.69% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 89.13% | 92.86% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.34% | 96.61% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.04% | 97.79% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.23% | 91.03% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.94% | 100.00% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 85.88% | 95.58% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 85.82% | 92.88% |
| CHEMBL236 | P41143 | Delta opioid receptor | 85.77% | 99.35% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 85.38% | 85.31% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.33% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.05% | 95.89% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 84.78% | 98.75% |
| CHEMBL233 | P35372 | Mu opioid receptor | 84.08% | 97.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.81% | 97.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 83.54% | 97.29% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.34% | 93.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.18% | 97.14% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 82.80% | 99.43% |
| CHEMBL1741186 | P51449 | Nuclear receptor ROR-gamma | 82.68% | 99.17% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 81.07% | 99.18% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.78% | 93.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.49% | 100.00% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 80.42% | 100.00% |
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 | 72967605 |
| LOTUS | LTS0100029 |
| wikiData | Q105133607 |