Leucadenone B
| Internal ID | 9418bce6-573f-4afa-b57b-b38582f9e200 |
| Taxonomy | Phenylpropanoids and polyketides > Neoflavonoids > Prenylated neoflavonoids |
| IUPAC Name | (2S,7aR,11aS,12S)-5,7a-dihydroxy-6,8,8,10,10-pentamethyl-2,12-diphenyl-2,3,11a,12-tetrahydropyrano[2,3-a]xanthene-4,9,11-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H32O7/c1-17-26(35)23-20(34)16-21(18-12-8-6-9-13-18)39-28(23)24-22(19-14-10-7-11-15-19)25-29(36)31(2,3)30(37)32(4,5)33(25,38)40-27(17)24/h6-15,21-22,25,35,38H,16H2,1-5H3/t21-,22-,25-,33+/m0/s1 |
| InChI Key | VAJKIKOYPOZJCO-SHHUEDPUSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C33H32O7 |
| Molecular Weight | 540.60 g/mol |
| Exact Mass | 540.21480336 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 5.50 |
| CHEBI:169470 |
| LMPK12140153 |
| (2S,7aR,11aS,12S)-5,7a-dihydroxy-6,8,8,10,10-pentamethyl-2,12-diphenyl-2,3,11a,12-tetrahydropyrano[2,3-a]xanthene-4,9,11-trione |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.23% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.96% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.11% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.34% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.35% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.27% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.97% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.46% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.24% | 96.09% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 83.24% | 85.11% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 81.22% | 97.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.56% | 94.73% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 80.34% | 92.97% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.27% | 93.99% |
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.
| Melaleuca leucadendra |
| PubChem | 15409091 |
| LOTUS | LTS0082762 |
| wikiData | Q105282773 |