CID 42636882
| Internal ID | ec3b738d-bc21-4cfd-afae-7168c2bf6a41 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | 2-aminoethyl [(12E)-22,23-dihydroxy-8-methyl-6-oxo-7,25-dioxabicyclo[22.1.0]pentacos-12-en-2-yl] hydrogen phosphate |
| SMILES (Canonical) | CC1CCCC=CCCCCCCCCC(C(C2C(O2)C(CCCC(=O)O1)OP(=O)(O)OCCN)O)O |
| SMILES (Isomeric) | CC1CCC/C=C/CCCCCCCCC(C(C2C(O2)C(CCCC(=O)O1)OP(=O)(O)OCCN)O)O |
| InChI | InChI=1S/C26H48NO9P/c1-20-14-11-9-7-5-3-2-4-6-8-10-12-15-21(28)24(30)26-25(35-26)22(16-13-17-23(29)34-20)36-37(31,32)33-19-18-27/h5,7,20-22,24-26,28,30H,2-4,6,8-19,27H2,1H3,(H,31,32)/b7-5+ |
| InChI Key | GBCIMKINXXNPFP-FNORWQNLSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C26H48NO9P |
| Molecular Weight | 549.60 g/mol |
| Exact Mass | 549.30666911 g/mol |
| Topological Polar Surface Area (TPSA) | 161.00 Ų |
| XlogP | 0.60 |
| RefChem:923906 |
| SCHEMBL29479372 |
| CHEBI:225599 |
| 2-aminoethyl [(12E)-22,23-dihydroxy-8-methyl-6-oxo-7,25-dioxabicyclo[22.1.0]pentacos-12-en-2-yl] hydrogen phosphate |
| 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 | 97.30% | 96.09% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 93.92% | 94.01% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.41% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.94% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.64% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.64% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.79% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.46% | 95.89% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.29% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 85.99% | 92.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.64% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.54% | 90.71% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 85.09% | 80.33% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.75% | 94.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.74% | 92.62% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 84.15% | 80.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.08% | 100.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.01% | 93.04% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 80.31% | 97.78% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.28% | 91.71% |
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 | 42636882 |
| LOTUS | LTS0107509 |
| wikiData | Q77510663 |