(19,20,22,25-Tetraacetyloxy-23,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-21-yl)methyl acetate
Internal ID | 3b482aec-e754-4d3e-927e-ab187424ef09 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
IUPAC Name | (19,20,22,25-tetraacetyloxy-23,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-21-yl)methyl acetate |
SMILES (Canonical) | CC1CCC2=C(C=CC=N2)C(=O)OCC3(C4C(C(C5(C(C(C(C(C5(C4OC(=O)C)O3)(C)O)OC1=O)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)O)C |
SMILES (Isomeric) | CC1CCC2=C(C=CC=N2)C(=O)OCC3(C4C(C(C5(C(C(C(C(C5(C4OC(=O)C)O3)(C)O)OC1=O)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)O)C |
InChI | InChI=1S/C36H45NO17/c1-16-11-12-23-22(10-9-13-37-23)32(45)48-14-33(7)24-25(43)28(51-20(5)41)35(15-47-17(2)38)30(52-21(6)42)26(49-18(3)39)29(53-31(16)44)34(8,46)36(35,54-33)27(24)50-19(4)40/h9-10,13,16,24-30,43,46H,11-12,14-15H2,1-8H3 |
InChI Key | BHZPCHKNAJFRRV-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C36H45NO17 |
Molecular Weight | 763.70 g/mol |
Exact Mass | 763.26874897 g/mol |
Topological Polar Surface Area (TPSA) | 247.00 Ų |
XlogP | -0.10 |
There are no found synonyms. |
![2D Structure of (19,20,22,25-Tetraacetyloxy-23,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-21-yl)methyl acetate 2D Structure of (19,20,22,25-Tetraacetyloxy-23,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-21-yl)methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/63a31bc0-83e6-11ee-9570-b510f8d10c29.jpg)
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 | 98.73% | 96.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.85% | 85.14% |
CHEMBL2581 | P07339 | Cathepsin D | 97.67% | 98.95% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.36% | 97.25% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.60% | 86.33% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.95% | 91.11% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 94.84% | 82.69% |
CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 90.97% | 96.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.97% | 89.00% |
CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 90.57% | 81.11% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 90.26% | 91.49% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.86% | 99.23% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.60% | 95.56% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.16% | 96.77% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.36% | 100.00% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.14% | 94.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.98% | 95.89% |
CHEMBL2535 | P11166 | Glucose transporter | 83.19% | 98.75% |
CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 82.30% | 96.67% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.86% | 96.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.52% | 97.09% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.96% | 92.62% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.88% | 94.33% |
CHEMBL5028 | O14672 | ADAM10 | 80.75% | 97.50% |
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.
Plenckia populnea |
PubChem | 73236929 |
LOTUS | LTS0213462 |
wikiData | Q104936331 |