(2-Hydroxy-4,5,9,9,13,19,20-heptamethyl-23-oxo-24-oxahexacyclo[17.3.2.01,18.04,17.05,14.08,13]tetracosan-10-yl) acetate
Internal ID | 6e2c4568-8159-423a-b9dc-8dbdc9028ff6 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
IUPAC Name | (2-hydroxy-4,5,9,9,13,19,20-heptamethyl-23-oxo-24-oxahexacyclo[17.3.2.01,18.04,17.05,14.08,13]tetracosan-10-yl) acetate |
SMILES (Canonical) | CC1CCC23C(CC4(C(C2C1(OC3=O)C)CCC5C4(CCC6C5(CCC(C6(C)C)OC(=O)C)C)C)C)O |
SMILES (Isomeric) | CC1CCC23C(CC4(C(C2C1(OC3=O)C)CCC5C4(CCC6C5(CCC(C6(C)C)OC(=O)C)C)C)C)O |
InChI | InChI=1S/C32H50O5/c1-18-11-16-32-23(34)17-30(7)20(25(32)31(18,8)37-26(32)35)9-10-22-28(5)14-13-24(36-19(2)33)27(3,4)21(28)12-15-29(22,30)6/h18,20-25,34H,9-17H2,1-8H3 |
InChI Key | LMAQNHCBSLCTIL-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C32H50O5 |
Molecular Weight | 514.70 g/mol |
Exact Mass | 514.36582469 g/mol |
Topological Polar Surface Area (TPSA) | 72.80 Ų |
XlogP | 7.10 |
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 |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.15% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.15% | 94.45% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.02% | 91.11% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.00% | 100.00% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.43% | 82.69% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.16% | 95.56% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.69% | 92.94% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.67% | 97.14% |
CHEMBL2581 | P07339 | Cathepsin D | 84.67% | 98.95% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.50% | 91.19% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.60% | 96.61% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.39% | 97.09% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.22% | 89.00% |
CHEMBL1871 | P10275 | Androgen Receptor | 82.00% | 96.43% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.37% | 97.28% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.24% | 96.77% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.04% | 93.04% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.04% | 93.00% |
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.
Pieris japonica |
PubChem | 73821064 |
LOTUS | LTS0043281 |
wikiData | Q105153822 |