Trisorbicillinone C
| Internal ID | a0b8536a-12b2-4a34-952a-0e5560d4401b |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones |
| IUPAC Name | (4S,4aR,5aS,9aR,9bR)-4,4a,8-trihydroxy-2-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-9-[(E)-1-hydroxy-3-[(1R,2R,3R,4S,5S)-5-hydroxy-8-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-1,3,5-trimethyl-6,7-dioxo-2-bicyclo[2.2.2]octanyl]prop-2-enylidene]-4,5a,7,9b-tetramethyl-9aH-dibenzofuran-1,3,6-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C42H48O13/c1-10-12-14-16-23(43)26-29-20(3)22(37(5,33(26)48)36(51)39(29,7)52)18-19-25(45)27-30(46)21(4)32(47)40(8)31(27)38(6)34(49)28(24(44)17-15-13-11-2)35(50)41(9,53)42(38,54)55-40/h10-20,22,29,31,43-46,52-54H,1-9H3/b12-10+,13-11+,16-14+,17-15+,19-18+,26-23?,27-25?,28-24?/t20-,22-,29+,31-,37-,38-,39+,40+,41+,42-/m1/s1 |
| InChI Key | MPYCEVVCKUKTDZ-BZRIUWCUSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C42H48O13 |
| Molecular Weight | 760.80 g/mol |
| Exact Mass | 760.30949158 g/mol |
| Topological Polar Surface Area (TPSA) | 236.00 Ų |
| XlogP | 4.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.86% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.68% | 94.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.36% | 89.00% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 90.76% | 95.69% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.11% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.56% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.37% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.75% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.98% | 85.14% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 87.64% | 85.30% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.08% | 91.71% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.22% | 85.11% |
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.
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| There are no matching plants. |
| PubChem | 139588520 |
| LOTUS | LTS0153304 |
| wikiData | Q105169818 |