5,6,14-trihydroxy-18-(1H-indol-3-ylmethyl)-7,9,16-trimethyl-15-methylidene-19-azatricyclo[11.7.0.01,17]icosa-3,7,11-triene-2,20-dione
| Internal ID | 6d53bcf6-5db1-4c01-b595-1b3707f66049 |
| Taxonomy | Organoheterocyclic compounds > Isoindoles and derivatives > Isoindolines > Isoindolones |
| IUPAC Name | 5,6,14-trihydroxy-18-(1H-indol-3-ylmethyl)-7,9,16-trimethyl-15-methylidene-19-azatricyclo[11.7.0.01,17]icosa-3,7,11-triene-2,20-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H38N2O5/c1-17-8-7-10-23-30(38)20(4)19(3)28-25(15-21-16-33-24-11-6-5-9-22(21)24)34-31(39)32(23,28)27(36)13-12-26(35)29(37)18(2)14-17/h5-7,9-14,16-17,19,23,25-26,28-30,33,35,37-38H,4,8,15H2,1-3H3,(H,34,39) |
| InChI Key | YUFTVRUFJJDEHE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H38N2O5 |
| Molecular Weight | 530.70 g/mol |
| Exact Mass | 530.27807232 g/mol |
| Topological Polar Surface Area (TPSA) | 123.00 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of 5,6,14-trihydroxy-18-(1H-indol-3-ylmethyl)-7,9,16-trimethyl-15-methylidene-19-azatricyclo[11.7.0.01,17]icosa-3,7,11-triene-2,20-dione](https://plantaedb.com/storage/docs/compounds/2023/11/508eef10-87aa-11ee-a032-77885b5c7550.jpg "2D Structure of 5,6,14-trihydroxy-18-(1H-indol-3-ylmethyl)-7,9,16-trimethyl-15-methylidene-19-azatricyclo[11.7.0.01,17]icosa-3,7,11-triene-2,20-dione")
| 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 | 99.00% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.43% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.91% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 95.11% | 94.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.72% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.38% | 89.00% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 91.60% | 88.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.23% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.36% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.83% | 99.23% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 89.25% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.76% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.05% | 97.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.16% | 97.79% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.91% | 90.08% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 84.25% | 97.64% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 83.70% | 96.25% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.24% | 90.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.65% | 98.59% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 82.45% | 96.39% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.47% | 89.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.77% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.66% | 86.33% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 80.60% | 96.00% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 80.03% | 90.71% |
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.
| There are no matching plants. |
| PubChem | 75149074 |
| LOTUS | LTS0223964 |
| wikiData | Q104202088 |