[5,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,18,22,26,30-hexamethyl-15-[10-[(N'-methylcarbamimidoyl)amino]dec-6-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-3-yl] 10-methylundecanoate
| Internal ID | fa07bbfa-a39f-416f-90b4-4d3c438c7198 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | [5,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,18,22,26,30-hexamethyl-15-[10-[(N'-methylcarbamimidoyl)amino]dec-6-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-3-yl] 10-methylundecanoate |
| SMILES (Canonical) | CC1CCC(C(C(CC(C(C=CC=C(C(=O)OC(C(C=CC=C(C(CC(CC(CC(CC2CC(C(C(O2)(CC1O)O)O)O)OC(=O)CCCCCCCCC(C)C)O)O)O)C)C)C(C)CCCC=CCCCNC(=NC)N)C)C)O)O)C)O |
| SMILES (Isomeric) | CC1CCC(C(C(CC(C(C=CC=C(C(=O)OC(C(C=CC=C(C(CC(CC(CC(CC2CC(C(C(O2)(CC1O)O)O)O)OC(=O)CCCCCCCCC(C)C)O)O)O)C)C)C(C)CCCC=CCCCNC(=NC)N)C)C)O)O)C)O |
| InChI | InChI=1S/C65H115N3O15/c1-42(2)25-19-15-11-12-17-21-31-60(77)81-52-36-50(69)35-51(70)37-55(72)43(3)27-23-29-47(7)61(46(6)26-20-16-13-14-18-22-34-68-64(66)67-10)82-63(79)48(8)30-24-28-44(4)56(73)40-57(74)49(9)54(71)33-32-45(5)59(76)41-65(80)62(78)58(75)39-53(38-52)83-65/h13-14,23-24,27-30,42,44-47,49-59,61-62,69-76,78,80H,11-12,15-22,25-26,31-41H2,1-10H3,(H3,66,67,68) |
| InChI Key | UEVRSRIAXOGKNQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C65H115N3O15 |
| Molecular Weight | 1178.60 g/mol |
| Exact Mass | 1177.83281997 g/mol |
| Topological Polar Surface Area (TPSA) | 315.00 Ų |
| XlogP | 9.40 |
| There are no found synonyms. |
![2D Structure of [5,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,18,22,26,30-hexamethyl-15-[10-[(N'-methylcarbamimidoyl)amino]dec-6-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-3-yl] 10-methylundecanoate](https://plantaedb.com/storage/docs/compounds/2023/11/2e96c7a0-82e8-11ee-9ea4-d56670fea6a7.jpg "2D Structure of [5,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,18,22,26,30-hexamethyl-15-[10-[(N'-methylcarbamimidoyl)amino]dec-6-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-3-yl] 10-methylundecanoate")
| 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 | 99.83% | 91.11% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 99.48% | 89.63% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 97.89% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.43% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.68% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.51% | 95.56% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 95.42% | 95.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.30% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.45% | 98.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 93.68% | 95.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 93.06% | 96.47% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.01% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.64% | 94.45% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 92.61% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.52% | 94.73% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 91.92% | 85.31% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.06% | 94.75% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 90.32% | 91.07% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 90.09% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 88.54% | 94.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.99% | 93.56% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.20% | 95.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.17% | 95.89% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 86.62% | 90.08% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.84% | 89.00% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 85.21% | 95.92% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.14% | 91.19% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.80% | 82.69% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 84.23% | 100.00% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 84.03% | 94.08% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.96% | 96.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 83.89% | 93.18% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.34% | 96.77% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.25% | 94.80% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.97% | 93.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.47% | 96.90% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.30% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.97% | 90.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.43% | 98.75% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.07% | 97.14% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 81.03% | 92.32% |
| CHEMBL5028 | O14672 | ADAM10 | 80.99% | 97.50% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 80.96% | 96.25% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.49% | 92.50% |
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.
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| There are no matching plants. |
| PubChem | 163017453 |
| LOTUS | LTS0165000 |
| wikiData | Q104198144 |