5,6,14-trihydroxy-18-(1H-indol-3-ylmethyl)-7,9,16-trimethyl-15-methylidene-19-azatricyclo[11.7.0.01,17]icosa-7,11-diene-2,20-dione
| Internal ID | f0c511e3-2f4c-4c71-8d0f-8c36d68cddb6 |
| 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-7,11-diene-2,20-dione |
| SMILES (Canonical) | CC1CC=CC2C(C(=C)C(C3C2(C(=O)CCC(C(C(=C1)C)O)O)C(=O)NC3CC4=CNC5=CC=CC=C54)C)O |
| SMILES (Isomeric) | CC1CC=CC2C(C(=C)C(C3C2(C(=O)CCC(C(C(=C1)C)O)O)C(=O)NC3CC4=CNC5=CC=CC=C54)C)O |
| InChI | InChI=1S/C32H40N2O5/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/h5-7,9-11,14,16-17,19,23,25-26,28-30,33,35,37-38H,4,8,12-13,15H2,1-3H3,(H,34,39) |
| InChI Key | XVRIIIGIWIPYAY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H40N2O5 |
| Molecular Weight | 532.70 g/mol |
| Exact Mass | 532.29372238 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-7,11-diene-2,20-dione](https://plantaedb.com/storage/docs/compounds/2023/11/c9951a60-838f-11ee-aa07-ab8158b52719.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-7,11-diene-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 | 99.25% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.67% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 96.55% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.40% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.76% | 93.99% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.32% | 99.23% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.57% | 92.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.46% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.49% | 94.00% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 90.88% | 88.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.41% | 89.00% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 90.35% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.09% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.02% | 85.14% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 89.09% | 97.64% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.86% | 93.03% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 86.71% | 90.08% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 86.00% | 96.39% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 83.53% | 90.71% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.37% | 97.79% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 83.15% | 96.25% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 83.04% | 91.43% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.52% | 100.00% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 80.96% | 96.00% |
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 | 75149143 |
| LOTUS | LTS0234032 |
| wikiData | Q104201387 |