15-(5,6-Dihydroxy-6-methylheptan-2-yl)-9,14-dihydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
Internal ID | f23ded59-7049-4b4a-815a-bc3800ec8091 |
Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
IUPAC Name | 15-(5,6-dihydroxy-6-methylheptan-2-yl)-9,14-dihydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one |
SMILES (Canonical) | CC(CCC(C(C)(C)O)O)C1C(CC2(C1(CCC34C2CC(C5C3(C4)CCC(=O)C5(C)C)O)C)C)O |
SMILES (Isomeric) | CC(CCC(C(C)(C)O)O)C1C(CC2(C1(CCC34C2CC(C5C3(C4)CCC(=O)C5(C)C)O)C)C)O |
InChI | InChI=1S/C30H50O5/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/h17-20,22-24,31-32,34-35H,8-16H2,1-7H3 |
InChI Key | INKQVUHOCANUCA-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C30H50O5 |
Molecular Weight | 490.70 g/mol |
Exact Mass | 490.36582469 g/mol |
Topological Polar Surface Area (TPSA) | 98.00 Ų |
XlogP | 4.30 |
There are no found synonyms. |
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% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.70% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 94.44% | 98.95% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.60% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.42% | 94.45% |
CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 91.75% | 89.34% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.42% | 97.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.18% | 85.14% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.09% | 94.75% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.69% | 82.69% |
CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 87.72% | 95.69% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 87.29% | 97.79% |
CHEMBL1907598 | P05106 | Integrin alpha-V/beta-3 | 87.02% | 95.71% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 86.43% | 96.61% |
CHEMBL299 | P17252 | Protein kinase C alpha | 85.91% | 98.03% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.39% | 95.56% |
CHEMBL4482 | O96013 | Serine/threonine-protein kinase PAK 4 | 84.71% | 95.42% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.11% | 100.00% |
CHEMBL3837 | P07711 | Cathepsin L | 82.47% | 96.61% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.33% | 100.00% |
CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.92% | 97.05% |
CHEMBL4805 | Q99572 | P2X purinoceptor 7 | 81.85% | 97.50% |
CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 81.57% | 90.93% |
CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 80.62% | 92.50% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.28% | 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 taschkendicus |
PubChem | 14392631 |
LOTUS | LTS0203277 |
wikiData | Q105116270 |