Pardinol F
| Internal ID | 099a96ac-7d71-4d0f-9ed9-43a7b21871b0 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | [(2R,3R,5R,10S,12S,13R,14S,17R)-17-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-2,12-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] (3R)-5-[[(1S,2S)-1-acetyloxy-3-methoxy-3-oxo-1-phenylpropan-2-yl]amino]-3-hydroxy-3-methyl-5-oxopentanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C48H73NO12/c1-27(17-20-35(52)44(5,6)57)30-21-22-47(9)31-18-19-34-43(3,4)41(33(51)24-46(34,8)32(31)23-36(53)48(30,47)10)61-38(55)26-45(7,58)25-37(54)49-39(42(56)59-11)40(60-28(2)50)29-15-13-12-14-16-29/h12-16,27,30,33-36,39-41,51-53,57-58H,17-26H2,1-11H3,(H,49,54)/t27-,30-,33-,34+,35-,36+,39+,40+,41+,45-,46-,47+,48+/m1/s1 |
| InChI Key | YNPPVMNLWLFSDD-DERQANKZSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C48H73NO12 |
| Molecular Weight | 856.10 g/mol |
| Exact Mass | 855.51327676 g/mol |
| Topological Polar Surface Area (TPSA) | 209.00 Ų |
| XlogP | 5.00 |
| 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 | 99.47% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.20% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.42% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 98.29% | 90.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.13% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.84% | 97.25% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 92.38% | 94.08% |
| CHEMBL5028 | O14672 | ADAM10 | 91.81% | 97.50% |
| CHEMBL240 | Q12809 | HERG | 91.47% | 89.76% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 91.30% | 97.79% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.03% | 93.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.96% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.73% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.37% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.17% | 95.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 88.06% | 94.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.33% | 86.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.86% | 100.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.81% | 89.50% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 84.47% | 95.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.36% | 95.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.74% | 97.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.52% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.24% | 97.09% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.40% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.91% | 82.69% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.89% | 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 | 139591001 |
| LOTUS | LTS0084579 |
| wikiData | Q105351066 |