17-(4,5-Dihydroxy-6-methylheptan-2-yl)-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,4,6,8,15-pentol
| Internal ID | 700b3fdd-3dfd-4f2e-af6f-ba25e1780669 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Bile acids, alcohols and derivatives > Hydroxy bile acids, alcohols and derivatives |
| IUPAC Name | 17-(4,5-dihydroxy-6-methylheptan-2-yl)-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,4,6,8,15-pentol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H48O7/c1-13(2)22(32)17(29)10-14(3)15-11-18(30)24-25(15,4)9-7-20-26(5)8-6-16(28)23(33)21(26)19(31)12-27(20,24)34/h13-24,28-34H,6-12H2,1-5H3 |
| InChI Key | DMAQLTLNFFADJT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H48O7 |
| Molecular Weight | 484.70 g/mol |
| Exact Mass | 484.34000387 g/mol |
| Topological Polar Surface Area (TPSA) | 142.00 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of 17-(4,5-Dihydroxy-6-methylheptan-2-yl)-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,4,6,8,15-pentol](https://plantaedb.com/storage/docs/compounds/2023/11/a2d6dec0-874f-11ee-bf9a-3164da006c9a.jpg "2D Structure of 17-(4,5-Dihydroxy-6-methylheptan-2-yl)-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,4,6,8,15-pentol")
| 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 | 99.62% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.96% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 95.49% | 95.93% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.32% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.45% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.90% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.56% | 98.95% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 93.26% | 95.58% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.12% | 85.14% |
| CHEMBL204 | P00734 | Thrombin | 90.33% | 96.01% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.10% | 95.89% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 89.89% | 98.10% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 89.50% | 98.05% |
| CHEMBL268 | P43235 | Cathepsin K | 88.99% | 96.85% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.92% | 100.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 87.41% | 92.86% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.04% | 82.69% |
| CHEMBL5600 | P27448 | Serine/threonine-protein kinase c-TAK1 | 85.85% | 88.81% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.82% | 96.47% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.69% | 100.00% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 83.26% | 83.10% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.15% | 95.89% |
| CHEMBL3837 | P07711 | Cathepsin L | 82.70% | 96.61% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 82.62% | 97.64% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.26% | 97.79% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.01% | 96.38% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.54% | 97.14% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 81.27% | 95.00% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 80.79% | 92.78% |
| CHEMBL2007625 | O75874 | Isocitrate dehydrogenase [NADP] cytoplasmic | 80.31% | 99.00% |
| CHEMBL4444 | P04070 | Vitamin K-dependent protein C | 80.17% | 93.89% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 80.08% | 98.35% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 80.05% | 89.05% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 73072609 |
| LOTUS | LTS0191850 |
| wikiData | Q104984975 |