3-[6,26-Dihydroxy-2,3,10,22,22,24,24-heptamethyl-28-(3-methylbut-2-enyl)-7,23-dioxa-30-azaoctacyclo[14.14.0.02,14.03,11.06,10.017,29.019,27.020,25]triaconta-1(16),17,19(27),20,28-pentaen-8-yl]-3-hydroxy-2-methylpropanoic acid
| Internal ID | 513094cf-8f4b-480d-8460-246c08ce89a6 |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | 3-[6,26-dihydroxy-2,3,10,22,22,24,24-heptamethyl-28-(3-methylbut-2-enyl)-7,23-dioxa-30-azaoctacyclo[14.14.0.02,14.03,11.06,10.017,29.019,27.020,25]triaconta-1(16),17,19(27),20,28-pentaen-8-yl]-3-hydroxy-2-methylpropanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C43H59NO7/c1-21(2)11-13-24-31-25(28-19-38(4,5)51-39(6,7)32(28)35(31)46)18-26-27-17-23-12-14-30-40(8,42(23,10)36(27)44-33(24)26)15-16-43(49)41(30,9)20-29(50-43)34(45)22(3)37(47)48/h11,18-19,22-23,29-30,32,34-35,44-46,49H,12-17,20H2,1-10H3,(H,47,48) |
| InChI Key | RJBBYXNTYMCJHA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C43H59NO7 |
| Molecular Weight | 701.90 g/mol |
| Exact Mass | 701.42915322 g/mol |
| Topological Polar Surface Area (TPSA) | 132.00 Ų |
| XlogP | 6.60 |
| There are no found synonyms. |
![2D Structure of 3-[6,26-Dihydroxy-2,3,10,22,22,24,24-heptamethyl-28-(3-methylbut-2-enyl)-7,23-dioxa-30-azaoctacyclo[14.14.0.02,14.03,11.06,10.017,29.019,27.020,25]triaconta-1(16),17,19(27),20,28-pentaen-8-yl]-3-hydroxy-2-methylpropanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/43d84680-83bb-11ee-9585-fdedc816a724.jpg "2D Structure of 3-[6,26-Dihydroxy-2,3,10,22,22,24,24-heptamethyl-28-(3-methylbut-2-enyl)-7,23-dioxa-30-azaoctacyclo[14.14.0.02,14.03,11.06,10.017,29.019,27.020,25]triaconta-1(16),17,19(27),20,28-pentaen-8-yl]-3-hydroxy-2-methylpropanoic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.43% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.41% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.29% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.88% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.99% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 93.31% | 100.00% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 92.30% | 97.31% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.01% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.62% | 97.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 91.06% | 94.80% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.10% | 90.17% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.95% | 94.75% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.82% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.75% | 95.56% |
| CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 88.92% | 97.88% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 88.05% | 97.28% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.68% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.36% | 86.33% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 86.81% | 89.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.07% | 92.62% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.90% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.01% | 93.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.94% | 91.19% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 82.44% | 95.00% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 82.30% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.25% | 93.40% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.67% | 97.50% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.57% | 91.71% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 81.14% | 98.59% |
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 | 73812738 |
| LOTUS | LTS0231034 |
| wikiData | Q104196658 |