Verruculogen TR 1
| Internal ID | 3ad29bab-f708-4272-8903-b74b98fba0ac |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | 23,24-dihydroxy-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-enyl)-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.02,7.08,25.015,23.017,21]pentacosa-1(25),2(7),3,5-tetraene-16,22-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H33N3O7/c1-14(2)11-20-29-18-12-15(35-5)8-9-16(18)21-22(29)19(13-26(3,4)37-36-20)30-24(32)17-7-6-10-28(17)25(33)27(30,34)23(21)31/h8-9,11-12,17,19-20,23,31,34H,6-7,10,13H2,1-5H3 |
| InChI Key | LRXYHMMJJCTUMY-UHFFFAOYSA-N |
| Popularity | 14 references in papers |
| Molecular Formula | C27H33N3O7 |
| Molecular Weight | 511.60 g/mol |
| Exact Mass | 511.23185040 g/mol |
| Topological Polar Surface Area (TPSA) | 114.00 Ų |
| XlogP | 1.80 |
| Verruculogen TR 1 |
| 12771-72-1 |
| TR1 |
| DTXSID40925965 |
| LRXYHMMJJCTUMY-UHFFFAOYSA-N |
| HB4120 |
| F85598 |
| Q11954479 |
| 10,10a-Dihydroxy-7-methoxy-2,2-dimethyl-5-(2-methyl-1-propenyl)-1,10,10a,14,14a,15b-hexahydro-12H-3,4-dioxa-5a,11a,15a-triazacycloocta[lm]indeno[5,6-b]fluorene-11,15(2H,13H)-dione # |
| 10,10a-Dihydroxy-7-methoxy-2,2-dimethyl-5-(2-methylprop-1-en-1-yl)-1,10,10a,14,14a,15b-hexahydro-5H,12H-3,4-dioxa-5a,11a,15a-triazacycloocta[1,2,3-lm]indeno[5,6-b]fluorene-11,15(2H,13H)-dione |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 99.05% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.15% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.81% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.41% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.02% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.39% | 93.40% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 95.07% | 97.05% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 94.90% | 95.89% |
| CHEMBL1871 | P10275 | Androgen Receptor | 93.86% | 96.43% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.96% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.45% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.26% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.88% | 90.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.31% | 91.03% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.91% | 94.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.84% | 97.25% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.81% | 92.94% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.20% | 97.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.92% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.44% | 97.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.31% | 93.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.92% | 82.38% |
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 | 104862 |
| LOTUS | LTS0225904 |
| wikiData | Q11954479 |