[15-(6-Hydroxy-6-methylhept-4-en-2-yl)-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] dodecanoate
| Internal ID | 5236bb0a-7370-4d9d-9f40-0bcc0b99e4f2 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | [15-(6-hydroxy-6-methylhept-4-en-2-yl)-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] dodecanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C42H72O3/c1-9-10-11-12-13-14-15-16-17-20-36(43)45-35-24-27-41-30-42(41)29-28-39(7)32(31(2)19-18-25-37(3,4)44)23-26-40(39,8)34(42)22-21-33(41)38(35,5)6/h18,25,31-35,44H,9-17,19-24,26-30H2,1-8H3 |
| InChI Key | BIRNPJCAAKNGGH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C42H72O3 |
| Molecular Weight | 625.00 g/mol |
| Exact Mass | 624.54814615 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 13.70 |
| There are no found synonyms. |
![2D Structure of [15-(6-Hydroxy-6-methylhept-4-en-2-yl)-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] dodecanoate](https://plantaedb.com/storage/docs/compounds/2023/11/1bf2d1d0-8723-11ee-ad07-bde918efdfb8.jpg "2D Structure of [15-(6-Hydroxy-6-methylhept-4-en-2-yl)-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] dodecanoate")
| 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 | 99.69% | 97.25% |
| CHEMBL240 | Q12809 | HERG | 99.03% | 89.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.55% | 96.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 97.69% | 97.79% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 97.63% | 95.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.28% | 91.11% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 96.93% | 98.03% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 96.64% | 92.86% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.09% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 95.91% | 97.29% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.10% | 99.17% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 94.86% | 85.94% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 94.71% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 93.95% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.32% | 94.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.51% | 93.56% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 88.85% | 82.50% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.42% | 96.47% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.33% | 96.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.25% | 95.89% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 87.87% | 92.88% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 87.87% | 91.81% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.74% | 93.00% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 87.60% | 100.00% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 86.63% | 87.45% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.48% | 92.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.88% | 97.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.49% | 96.38% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.13% | 92.62% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 85.00% | 85.31% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.88% | 91.19% |
| CHEMBL233 | P35372 | Mu opioid receptor | 84.62% | 97.93% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 84.52% | 96.25% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 84.39% | 97.47% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 84.31% | 98.75% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 83.69% | 97.63% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.68% | 95.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.59% | 97.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.56% | 95.56% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.75% | 94.33% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.63% | 82.69% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.59% | 91.03% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.39% | 96.61% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 80.35% | 95.71% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 80.32% | 96.00% |
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.
To see more specific details click the taxa you are interested in.
| Sapium haematospermum |
| PubChem | 72788604 |
| LOTUS | LTS0069637 |
| wikiData | Q104936727 |