(1S,3R,6S,8R,11S,12S,14S,15R,16R)-15-[(2R)-1-hydroxy-6-methylhept-5-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,14-diol
| Internal ID | 8d1b27a7-6b13-41b2-ab52-7fd1edd54382 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | (1S,3R,6S,8R,11S,12S,14S,15R,16R)-15-[(2R)-1-hydroxy-6-methylhept-5-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,14-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H50O3/c1-19(2)8-7-9-20(17-31)25-21(32)16-28(6)23-11-10-22-26(3,4)24(33)12-13-29(22)18-30(23,29)15-14-27(25,28)5/h8,20-25,31-33H,7,9-18H2,1-6H3/t20-,21-,22-,23-,24-,25-,27+,28-,29+,30-/m0/s1 |
| InChI Key | BKYOCDCFRHAORC-FCLQDHNLSA-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 | 7.00 |
| There are no found synonyms. |
![2D Structure of (1S,3R,6S,8R,11S,12S,14S,15R,16R)-15-[(2R)-1-hydroxy-6-methylhept-5-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,14-diol](https://plantaedb.com/storage/docs/compounds/2023/11/cebb6a80-85be-11ee-aaab-4500dffbc264.jpg "2D Structure of (1S,3R,6S,8R,11S,12S,14S,15R,16R)-15-[(2R)-1-hydroxy-6-methylhept-5-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,14-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 | 95.41% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.92% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.79% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.54% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.17% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.40% | 91.11% |
| CHEMBL233 | P35372 | Mu opioid receptor | 89.49% | 97.93% |
| CHEMBL236 | P41143 | Delta opioid receptor | 89.20% | 99.35% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.08% | 100.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 88.40% | 92.86% |
| CHEMBL3837 | P07711 | Cathepsin L | 88.29% | 96.61% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.40% | 95.93% |
| CHEMBL4482 | O96013 | Serine/threonine-protein kinase PAK 4 | 87.21% | 95.42% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.70% | 82.69% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.54% | 95.50% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.77% | 96.61% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.48% | 96.95% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 83.82% | 97.64% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 83.57% | 96.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.39% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.18% | 91.19% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.97% | 96.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.60% | 98.95% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.51% | 92.88% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.00% | 91.24% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.84% | 100.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 81.74% | 94.62% |
| CHEMBL204 | P00734 | Thrombin | 81.47% | 96.01% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.77% | 98.75% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.69% | 96.90% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 80.56% | 95.58% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 80.54% | 95.00% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 80.48% | 94.78% |
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.
| Piptostigma fugax |
| PubChem | 68956385 |
| LOTUS | LTS0079942 |
| wikiData | Q104937835 |