[6-Hydroxy-4,9,9,13,17-pentamethyl-22-propan-2-yl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-20-oxahexacyclo[17.2.2.01,18.04,17.05,14.08,13]tricos-14-en-11-yl] acetate
Internal ID | c79f2c71-69ef-48b2-86c5-3d5633dabd06 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Diterpene glycosides |
IUPAC Name | [6-hydroxy-4,9,9,13,17-pentamethyl-22-propan-2-yl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-20-oxahexacyclo[17.2.2.01,18.04,17.05,14.08,13]tricos-14-en-11-yl] acetate |
SMILES (Canonical) | CC(C)C1CC2C3C1(CCC4(C3(CC=C5C4C(CC6C5(CC(C(C6(C)C)OC7C(C(C(C(O7)CO)O)O)O)OC(=O)C)C)O)C)C)CO2 |
SMILES (Isomeric) | CC(C)C1CC2C3C1(CCC4(C3(CC=C5C4C(CC6C5(CC(C(C6(C)C)OC7C(C(C(C(O7)CO)O)O)O)OC(=O)C)C)O)C)C)CO2 |
InChI | InChI=1S/C38H60O10/c1-18(2)21-13-23-31-37(8)10-9-20-27(36(37,7)11-12-38(21,31)17-45-23)22(41)14-26-34(4,5)32(24(46-19(3)40)15-35(20,26)6)48-33-30(44)29(43)28(42)25(16-39)47-33/h9,18,21-33,39,41-44H,10-17H2,1-8H3 |
InChI Key | NCVHJBCXBZFWRS-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C38H60O10 |
Molecular Weight | 676.90 g/mol |
Exact Mass | 676.41864811 g/mol |
Topological Polar Surface Area (TPSA) | 155.00 Ų |
XlogP | 3.90 |
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 |
---|---|---|---|---|
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 99.04% | 94.45% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.78% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.28% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 96.10% | 98.95% |
CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 92.73% | 91.24% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 91.67% | 97.79% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.89% | 97.09% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 90.78% | 97.28% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.72% | 97.25% |
CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 90.29% | 89.05% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.05% | 100.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.65% | 95.56% |
CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 86.93% | 82.50% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.66% | 95.89% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 85.07% | 95.93% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.49% | 94.33% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.24% | 90.17% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.17% | 95.89% |
CHEMBL5028 | O14672 | ADAM10 | 84.01% | 97.50% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.96% | 100.00% |
CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.94% | 97.21% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.34% | 95.50% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.82% | 89.00% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.56% | 96.77% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.47% | 95.50% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.42% | 94.00% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.39% | 96.00% |
CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.09% | 98.75% |
CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 80.40% | 94.08% |
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.
Rubia yunnanensis |
PubChem | 73792475 |
LOTUS | LTS0235275 |
wikiData | Q105177385 |