5-(2,3,15,19,23,27,31-Heptahydroxy-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-6,10,34-trienoxy)-3-hydroxy-3-methyl-5-oxopentanoic acid
| Internal ID | c9b3630e-94b1-43b0-a6d2-7eda386c9fd8 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Polyterpenoids |
| IUPAC Name | 5-(2,3,15,19,23,27,31-heptahydroxy-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-6,10,34-trienoxy)-3-hydroxy-3-methyl-5-oxopentanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C51H94O12/c1-39(2)20-13-25-45(5,56)27-16-29-47(7,58)31-18-33-49(9,60)34-19-32-48(8,59)30-17-28-46(6,57)26-14-23-40(3)21-12-22-41(4)24-15-35-51(11,62)42(52)38-63-44(55)37-50(10,61)36-43(53)54/h20-21,24,42,52,56-62H,12-19,22-23,25-38H2,1-11H3,(H,53,54) |
| InChI Key | JNPNBPGXYIYVEV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C51H94O12 |
| Molecular Weight | 899.30 g/mol |
| Exact Mass | 898.67452843 g/mol |
| Topological Polar Surface Area (TPSA) | 225.00 Ų |
| XlogP | 7.30 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.90% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.04% | 96.09% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 94.51% | 92.08% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.84% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.23% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.85% | 94.73% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.74% | 97.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.07% | 96.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.69% | 91.11% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 84.64% | 96.90% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 83.39% | 97.29% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.46% | 94.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.37% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.30% | 93.56% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.17% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.19% | 86.33% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 81.14% | 82.50% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.97% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.89% | 91.19% |
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 | 76524546 |
| LOTUS | LTS0056195 |
| wikiData | Q105132053 |