(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,16-trimethyl-15-[(2R)-7-methyloctan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
| Internal ID | eade8488-be60-4a28-a444-e2b29f9ff718 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Hydroxysteroids > 3-hydroxysteroids |
| IUPAC Name | (1S,3R,6S,8R,11S,12S,15R,16R)-7,7,16-trimethyl-15-[(2R)-7-methyloctan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol |
| SMILES (Canonical) | CC(C)CCCCC(C)C1CCC2C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C |
| SMILES (Isomeric) | C[C@H](CCCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)O)C |
| InChI | InChI=1S/C30H52O/c1-20(2)9-7-8-10-21(3)22-11-12-23-24-13-14-25-27(4,5)26(31)15-16-30(25)19-29(24,30)18-17-28(22,23)6/h20-26,31H,7-19H2,1-6H3/t21-,22-,23+,24+,25+,26+,28-,29+,30-/m1/s1 |
| InChI Key | XIWZWKZAOVPHOG-SPQNPFHSSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H52O |
| Molecular Weight | 428.70 g/mol |
| Exact Mass | 428.401816278 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 10.40 |
| There are no found synonyms. |
![2D Structure of (1S,3R,6S,8R,11S,12S,15R,16R)-7,7,16-trimethyl-15-[(2R)-7-methyloctan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol](https://plantaedb.com/storage/docs/compounds/2023/11/88c0c370-8581-11ee-bb86-292488182e5d.jpg "2D Structure of (1S,3R,6S,8R,11S,12S,15R,16R)-7,7,16-trimethyl-15-[(2R)-7-methyloctan-2-yl]pentacyclo[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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.73% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.90% | 96.09% |
| CHEMBL240 | Q12809 | HERG | 94.32% | 89.76% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.27% | 90.17% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.76% | 95.93% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 92.73% | 98.10% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 92.07% | 96.38% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.57% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.79% | 98.95% |
| CHEMBL3837 | P07711 | Cathepsin L | 90.62% | 96.61% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.63% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.16% | 97.09% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 88.89% | 95.58% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 87.89% | 85.31% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 87.79% | 92.86% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.84% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.45% | 93.00% |
| CHEMBL233 | P35372 | Mu opioid receptor | 86.34% | 97.93% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.96% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.80% | 100.00% |
| CHEMBL236 | P41143 | Delta opioid receptor | 85.36% | 99.35% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.70% | 82.69% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.42% | 90.71% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.29% | 93.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.21% | 94.75% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 83.01% | 92.88% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 82.72% | 99.17% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 82.62% | 100.00% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 82.55% | 99.18% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.10% | 96.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 82.06% | 97.29% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.68% | 96.43% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.07% | 95.89% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.45% | 100.00% |
| CHEMBL238 | Q01959 | Dopamine transporter | 80.23% | 95.88% |
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.
| Sapium haematospermum |
| PubChem | 163106564 |
| LOTUS | LTS0129224 |
| wikiData | Q105328789 |