Phormidolide
| Internal ID | dfa72e3a-9ec9-4fa5-9a5c-fedc4107b000 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | [(E,2S)-6-bromo-1-[(4S,5R,6R)-6-[[(4S,6R)-6-[(E,4S)-4-hydroxy-4-[(1R,4E,6E,9R,12E,15S,17R)-9-hydroxy-5,13,17-trimethyl-11-methylidene-3-oxo-2,16-dioxabicyclo[13.2.1]octadeca-4,6,12-trien-17-yl]-2-methylbut-2-enyl]-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]methyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-5-methoxy-4-methylidenehex-5-en-2-yl] hexadecanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C65H105BrO12/c1-16-17-18-19-20-21-22-23-24-25-26-27-28-32-60(69)72-51(39-48(6)55(43-66)71-15)40-53-49(7)54(76-63(10,11)75-53)42-58-62(8,9)57(77-64(12,13)78-58)37-47(5)36-56(68)65(14)59-41-52(74-65)35-46(4)33-45(3)34-50(67)31-29-30-44(2)38-61(70)73-59/h29-30,33,36,38,43,49-54,56-59,67-68H,3,6,16-28,31-32,34-35,37,39-42H2,1-2,4-5,7-15H3/b30-29+,44-38+,46-33+,47-36+,55-43+/t49-,50-,51+,52+,53+,54-,56+,57-,58+,59-,65-/m1/s1 |
| InChI Key | NKCNLPYUACMDHH-PMNWVCLESA-N |
| Popularity | 8 references in papers |
| Molecular Formula | C65H105BrO12 |
| Molecular Weight | 1158.40 g/mol |
| Exact Mass | 1156.67894 g/mol |
| Topological Polar Surface Area (TPSA) | 148.00 Ų |
| XlogP | 16.50 |
| There are no found synonyms. |
| 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 | 99.85% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.35% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.89% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.77% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.65% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.47% | 96.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 94.56% | 97.79% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 94.07% | 98.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.19% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.85% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.69% | 91.19% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 91.52% | 91.24% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 90.39% | 90.08% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.76% | 93.56% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 89.61% | 92.88% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.47% | 86.33% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 89.03% | 95.92% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 88.90% | 92.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.68% | 97.14% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.37% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 88.02% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.01% | 97.09% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 87.89% | 85.94% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.86% | 94.73% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.73% | 91.07% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 87.32% | 89.63% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.92% | 95.56% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 86.45% | 80.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 86.32% | 98.75% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 85.43% | 96.90% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.29% | 97.21% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 84.79% | 95.00% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 84.47% | 80.33% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.18% | 96.47% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.78% | 95.50% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 81.66% | 96.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.22% | 95.89% |
| CHEMBL3776 | Q14790 | Caspase-8 | 81.04% | 97.06% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.52% | 95.89% |
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 | 10953284 |
| LOTUS | LTS0093335 |
| wikiData | Q77281501 |