1-[11-(3,5,7,9,19,21,23,27,30,31-Decahydroxy-29-methoxy-8,12,18,22,26-pentamethyl-15-oxo-14,33-dioxabicyclo[27.3.1]tritriaconta-10,16-dien-13-yl)-9-methyldodec-4-enyl]-2-methylguanidine
| Internal ID | 479144ae-06cb-468c-82fe-cb35789d4435 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | 1-[11-(3,5,7,9,19,21,23,27,30,31-decahydroxy-29-methoxy-8,12,18,22,26-pentamethyl-15-oxo-14,33-dioxabicyclo[27.3.1]tritriaconta-10,16-dien-13-yl)-9-methyldodec-4-enyl]-2-methylguanidine |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C52H95N3O14/c1-31(16-14-12-10-11-13-15-23-55-51(53)54-8)24-35(5)49-34(4)18-21-42(59)36(6)44(61)27-39(57)25-38(56)26-40-28-46(63)50(66)52(67-9,69-40)30-47(64)33(3)17-20-41(58)37(7)45(62)29-43(60)32(2)19-22-48(65)68-49/h10-11,18-19,21-22,31-47,49-50,56-64,66H,12-17,20,23-30H2,1-9H3,(H3,53,54,55) |
| InChI Key | ZKQAGHSYEYKUBI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C52H95N3O14 |
| Molecular Weight | 986.30 g/mol |
| Exact Mass | 985.68140471 g/mol |
| Topological Polar Surface Area (TPSA) | 297.00 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of 1-[11-(3,5,7,9,19,21,23,27,30,31-Decahydroxy-29-methoxy-8,12,18,22,26-pentamethyl-15-oxo-14,33-dioxabicyclo[27.3.1]tritriaconta-10,16-dien-13-yl)-9-methyldodec-4-enyl]-2-methylguanidine](https://plantaedb.com/storage/docs/compounds/2023/11/0bd21110-882f-11ee-9b4d-7d01c1b70737.jpg "2D Structure of 1-[11-(3,5,7,9,19,21,23,27,30,31-Decahydroxy-29-methoxy-8,12,18,22,26-pentamethyl-15-oxo-14,33-dioxabicyclo[27.3.1]tritriaconta-10,16-dien-13-yl)-9-methyldodec-4-enyl]-2-methylguanidine")
| 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 | 99.77% | 91.11% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 97.43% | 96.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.08% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.13% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.79% | 96.09% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 94.00% | 89.34% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 93.93% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.55% | 95.56% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 91.76% | 98.05% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.86% | 93.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.60% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.44% | 94.45% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.86% | 95.89% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.50% | 96.77% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 89.48% | 91.03% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 88.66% | 97.31% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.55% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.36% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.95% | 95.89% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 87.40% | 100.00% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 87.31% | 95.71% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 86.11% | 96.90% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.97% | 89.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.43% | 94.33% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 84.03% | 94.66% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.71% | 99.23% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.59% | 95.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.30% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.22% | 96.47% |
| CHEMBL3891 | P07384 | Calpain 1 | 82.95% | 93.04% |
| CHEMBL5646 | Q6L5J4 | FML2_HUMAN | 82.91% | 100.00% |
| CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 82.55% | 88.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.30% | 93.00% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 82.29% | 96.25% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.15% | 96.00% |
| CHEMBL4506 | Q96EB6 | NAD-dependent deacetylase sirtuin 1 | 81.67% | 88.33% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.39% | 86.33% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 81.29% | 92.32% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 81.25% | 91.96% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.05% | 97.25% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.79% | 97.14% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 80.67% | 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 | 162996069 |
| LOTUS | LTS0081433 |
| wikiData | Q105378654 |