(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R)-5-(hydroxymethyl)-5-methoxy-6-methylheptan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
| Internal ID | 293179e1-c10a-4f03-a2dc-f0d30e1cb0b9 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | (1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R)-5-(hydroxymethyl)-5-methoxy-6-methylheptan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H56O3/c1-21(2)32(20-33,35-8)16-11-22(3)23-12-14-29(7)25-10-9-24-27(4,5)26(34)13-15-30(24)19-31(25,30)18-17-28(23,29)6/h21-26,33-34H,9-20H2,1-8H3/t22-,23-,24+,25+,26+,28-,29+,30-,31+,32?/m1/s1 |
| InChI Key | NRHMKHNCVMMQCQ-YGBPDJJZSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C32H56O3 |
| Molecular Weight | 488.80 g/mol |
| Exact Mass | 488.42294564 g/mol |
| Topological Polar Surface Area (TPSA) | 49.70 Ų |
| XlogP | 8.40 |
| There are no found synonyms. |
![2D Structure of (1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R)-5-(hydroxymethyl)-5-methoxy-6-methylheptan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol](https://plantaedb.com/storage/docs/compounds/2023/11/93672570-8752-11ee-8974-49bb3e0b574f.jpg "2D Structure of (1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R)-5-(hydroxymethyl)-5-methoxy-6-methylheptan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol")
| 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 | 97.47% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.06% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.40% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.24% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.04% | 91.11% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 92.96% | 97.79% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.72% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.41% | 94.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.43% | 95.89% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.02% | 100.00% |
| CHEMBL236 | P41143 | Delta opioid receptor | 88.70% | 99.35% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 88.44% | 95.58% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 88.16% | 95.00% |
| CHEMBL233 | P35372 | Mu opioid receptor | 87.42% | 97.93% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 86.29% | 92.86% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.13% | 96.95% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 85.95% | 92.88% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.17% | 100.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.22% | 91.03% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.77% | 90.08% |
| CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 83.58% | 87.16% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.35% | 97.14% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 83.31% | 99.17% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 83.30% | 94.78% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 83.12% | 89.05% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.09% | 100.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.02% | 95.93% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.69% | 93.00% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 82.54% | 98.05% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 81.74% | 97.29% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 81.40% | 99.43% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 81.25% | 95.92% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 80.50% | 97.64% |
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.
| Euphorbia fischeriana |
| PubChem | 118723458 |
| LOTUS | LTS0204752 |
| wikiData | Q105184554 |