Methyl 10-acetyloxy-9-(acetyloxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Internal ID | 43b53593-de13-4c48-b4ab-4565d0e3303c |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
IUPAC Name | methyl 10-acetyloxy-9-(acetyloxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate |
SMILES (Canonical) | CC(=O)OCC1(C2CCC3(C(C2(CCC1OC(=O)C)C)CC=C4C3(CCC5(C4CC(CC5)(C)C)C(=O)OC)C)C)C |
SMILES (Isomeric) | CC(=O)OCC1(C2CCC3(C(C2(CCC1OC(=O)C)C)CC=C4C3(CCC5(C4CC(CC5)(C)C)C(=O)OC)C)C)C |
InChI | InChI=1S/C35H54O6/c1-22(36)40-21-32(6)26-12-15-34(8)27(31(26,5)14-13-28(32)41-23(2)37)11-10-24-25-20-30(3,4)16-18-35(25,29(38)39-9)19-17-33(24,34)7/h10,25-28H,11-21H2,1-9H3 |
InChI Key | YBOFLPVKKZCDHJ-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C35H54O6 |
Molecular Weight | 570.80 g/mol |
Exact Mass | 570.39203944 g/mol |
Topological Polar Surface Area (TPSA) | 78.90 Ų |
XlogP | 7.70 |
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 | 97.68% | 96.09% |
CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 96.65% | 91.65% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.47% | 94.45% |
CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 96.40% | 95.17% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.31% | 91.11% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.39% | 97.09% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.57% | 82.69% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.18% | 94.33% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.96% | 95.89% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.49% | 90.17% |
CHEMBL5028 | O14672 | ADAM10 | 83.98% | 97.50% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.66% | 91.19% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.48% | 91.07% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.18% | 100.00% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.01% | 96.77% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.76% | 95.56% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.48% | 83.82% |
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.
Hedyotis lawsoniae |
Spinacia oleracea |
PubChem | 14191855 |
LOTUS | LTS0170263 |
wikiData | Q105345946 |