Geri-BP001 A
| Internal ID | f451f57c-68e3-4b1b-a8e6-d54c7ff5373f |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | [(1S,2S,5S,7R,10R,18S)-18-hydroxy-2,6,6,10-tetramethyl-16-oxo-14-pyridin-3-yl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-5-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H33NO6/c1-15(29)32-20-9-10-26(4)19(25(20,2)3)8-11-27(5)23(26)22(30)21-18(34-27)13-17(33-24(21)31)16-7-6-12-28-14-16/h6-7,12-14,19-20,22-23,30H,8-11H2,1-5H3/t19-,20-,22+,23+,26-,27+/m0/s1 |
| InChI Key | CRIDZJKECHTODK-HJAVCOCOSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H33NO6 |
| Molecular Weight | 467.60 g/mol |
| Exact Mass | 467.23078777 g/mol |
| Topological Polar Surface Area (TPSA) | 95.00 Ų |
| XlogP | 3.50 |
| GERI-BP001 A |
| [(1S,2S,5S,7R,10R,18S)-18-Hydroxy-2,6,6,10-tetramethyl-16-oxo-14-pyridin-3-yl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-5-yl] acetate |
| 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 | 97.31% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.56% | 86.33% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 95.84% | 85.30% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.95% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.85% | 83.82% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.83% | 89.00% |
| CHEMBL4465 | O75908 | Acyl coenzyme A:cholesterol acyltransferase 2 | 94.02% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.99% | 94.45% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 90.02% | 81.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.33% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.97% | 96.09% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 86.94% | 96.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.53% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.14% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.07% | 95.89% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 84.97% | 97.53% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.96% | 92.62% |
| CHEMBL5028 | O14672 | ADAM10 | 82.86% | 97.50% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.92% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.99% | 97.09% |
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 | 10434752 |
| LOTUS | LTS0131297 |
| wikiData | Q77514675 |