2-[[15-(5,6-Dihydroxy-6-methylheptan-2-yl)-6,14-dihydroxy-7,7,12,16-tetramethyl-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxane-3,4,5-triol
| Internal ID | 0ebbf2c5-63f1-4b95-b989-0cd63a248a6d |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | 2-[[15-(5,6-dihydroxy-6-methylheptan-2-yl)-6,14-dihydroxy-7,7,12,16-tetramethyl-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxane-3,4,5-triol |
| SMILES (Canonical) | CC(CCC(C(C)(C)O)O)C1C(CC2(C1(CCC34C2CC(C5C3(C4)CCC(C5(C)C)O)OC6C(C(C(CO6)O)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)OC6C(C(C(CO6)O)O)O)C)C)O |
| InChI | InChI=1S/C35H60O9/c1-18(8-9-24(39)31(4,5)42)25-19(36)15-33(7)22-14-21(44-29-27(41)26(40)20(37)16-43-29)28-30(2,3)23(38)10-11-35(28)17-34(22,35)13-12-32(25,33)6/h18-29,36-42H,8-17H2,1-7H3 |
| InChI Key | QGFYQPMSVSDISL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H60O9 |
| Molecular Weight | 624.80 g/mol |
| Exact Mass | 624.42373349 g/mol |
| Topological Polar Surface Area (TPSA) | 160.00 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of 2-[[15-(5,6-Dihydroxy-6-methylheptan-2-yl)-6,14-dihydroxy-7,7,12,16-tetramethyl-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/bfda4a10-8616-11ee-8bdc-09256059aabc.jpg "2D Structure of 2-[[15-(5,6-Dihydroxy-6-methylheptan-2-yl)-6,14-dihydroxy-7,7,12,16-tetramethyl-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxane-3,4,5-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 | 99.61% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.11% | 91.11% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 96.67% | 95.69% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 96.09% | 95.58% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.02% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.96% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.45% | 96.77% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.23% | 95.93% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 90.70% | 92.88% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.50% | 94.45% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.49% | 96.61% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.26% | 98.95% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 88.82% | 85.31% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 88.63% | 90.24% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.42% | 85.14% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 87.82% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.76% | 96.47% |
| CHEMBL2007625 | O75874 | Isocitrate dehydrogenase [NADP] cytoplasmic | 87.60% | 99.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.56% | 97.21% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 87.17% | 99.17% |
| CHEMBL3837 | P07711 | Cathepsin L | 86.41% | 96.61% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 86.36% | 82.50% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 86.09% | 98.05% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.85% | 97.14% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 85.79% | 92.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.69% | 95.89% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.48% | 96.95% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.44% | 91.07% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.37% | 97.79% |
| CHEMBL4105786 | P41182 | B-cell lymphoma 6 protein | 85.24% | 92.86% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 84.39% | 92.86% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 84.35% | 98.75% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.98% | 94.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.82% | 100.00% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 82.91% | 92.98% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.85% | 100.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.82% | 91.03% |
| CHEMBL204 | P00734 | Thrombin | 82.72% | 96.01% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 82.64% | 94.62% |
| CHEMBL4482 | O96013 | Serine/threonine-protein kinase PAK 4 | 82.27% | 95.42% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.26% | 96.38% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.78% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.59% | 92.62% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 80.31% | 90.93% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.24% | 89.62% |
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 tragacantha |
| PubChem | 162950965 |
| LOTUS | LTS0222946 |
| wikiData | Q105220008 |