15-(5,6-Dihydroxy-6-methylheptan-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,9,14-triol
| Internal ID | 4167f8d5-e1b5-4fa0-ab21-ad9210396896 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | 15-(5,6-dihydroxy-6-methylheptan-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,9,14-triol |
| SMILES (Canonical) | CC(CCC(C(C)(C)O)O)C1C(CC2(C1(CCC34C2CC(C5C3(C4)CCC(C5(C)C)O)O)C)C)O |
| SMILES (Isomeric) | CC(CCC(C(C)(C)O)O)C1C(CC2(C1(CCC34C2CC(C5C3(C4)CCC(C5(C)C)O)O)C)C)O |
| InChI | InChI=1S/C30H52O5/c1-17(8-9-22(34)26(4,5)35)23-19(32)15-28(7)20-14-18(31)24-25(2,3)21(33)10-11-30(24)16-29(20,30)13-12-27(23,28)6/h17-24,31-35H,8-16H2,1-7H3 |
| InChI Key | NNYKOYIGBZQYAI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H52O5 |
| Molecular Weight | 492.70 g/mol |
| Exact Mass | 492.38147475 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of 15-(5,6-Dihydroxy-6-methylheptan-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,9,14-triol](https://plantaedb.com/storage/docs/compounds/2023/11/ffe41290-8552-11ee-98a6-2f6d83fede53.jpg "2D Structure of 15-(5,6-Dihydroxy-6-methylheptan-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,9,14-triol")
| 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 | 99.56% | 97.25% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 96.22% | 95.69% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 96.06% | 95.58% |
| CHEMBL4482 | O96013 | Serine/threonine-protein kinase PAK 4 | 95.61% | 95.42% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.04% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.89% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.88% | 91.11% |
| CHEMBL3837 | P07711 | Cathepsin L | 92.37% | 96.61% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 92.36% | 97.79% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 91.40% | 96.61% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.33% | 82.69% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.20% | 98.95% |
| CHEMBL238 | Q01959 | Dopamine transporter | 88.48% | 95.88% |
| CHEMBL240 | Q12809 | HERG | 88.16% | 89.76% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.96% | 94.45% |
| CHEMBL4660 | P28907 | Lymphocyte differentiation antigen CD38 | 87.95% | 95.27% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 87.49% | 98.05% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.48% | 95.93% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 87.22% | 90.24% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 87.05% | 91.03% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.81% | 96.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.62% | 89.34% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.39% | 100.00% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 85.28% | 85.31% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.98% | 85.14% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 84.57% | 100.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 84.22% | 92.88% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.22% | 97.21% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.01% | 100.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.95% | 92.86% |
| CHEMBL1907598 | P05106 | Integrin alpha-V/beta-3 | 83.85% | 95.71% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.71% | 100.00% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 83.58% | 92.50% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.21% | 94.75% |
| CHEMBL2007625 | O75874 | Isocitrate dehydrogenase [NADP] cytoplasmic | 83.12% | 99.00% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 82.91% | 99.17% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 82.17% | 97.64% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.85% | 98.75% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 81.44% | 94.78% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.29% | 95.89% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.21% | 96.43% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 81.06% | 98.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.86% | 97.14% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.44% | 93.56% |
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.
| Astragalus bungeanus |
| Astragalus caucasicus |
| Astragalus taschkendicus |
| Astragalus tragacantha |
| PubChem | 3697988 |
| LOTUS | LTS0102791 |
| wikiData | Q105182386 |