Pardinol D
| Internal ID | 74d48fa7-911f-4120-b174-0fae1b50ca85 |
| 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)-3-hydroxy-5-[[(1S,2S)-1-hydroxy-3-methoxy-3-oxo-1-phenylpropan-2-yl]amino]-3-methyl-5-oxopentanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C46H71NO11/c1-26(16-19-33(49)42(4,5)55)28-20-21-45(8)29-17-18-32-41(2,3)39(31(48)23-44(32,7)30(29)22-34(50)46(28,45)9)58-36(52)25-43(6,56)24-35(51)47-37(40(54)57-10)38(53)27-14-12-11-13-15-27/h11-15,26,28,31-34,37-39,48-50,53,55-56H,16-25H2,1-10H3,(H,47,51)/t26-,28-,31-,32+,33-,34+,37+,38+,39+,43-,44-,45+,46+/m1/s1 |
| InChI Key | DVXZCCHCRYPQLU-FINKOGSESA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C46H71NO11 |
| Molecular Weight | 814.10 g/mol |
| Exact Mass | 813.50271208 g/mol |
| Topological Polar Surface Area (TPSA) | 203.00 Ų |
| XlogP | 4.40 |
| 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 | 99.19% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.56% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.33% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 98.24% | 90.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.18% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.14% | 97.25% |
| CHEMBL5028 | O14672 | ADAM10 | 91.59% | 97.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.73% | 95.56% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 89.69% | 94.08% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.92% | 93.56% |
| CHEMBL4662 | P28074 | Proteasome Macropain subunit MB1 | 87.15% | 93.85% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 86.53% | 95.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.32% | 91.19% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.98% | 95.89% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.43% | 97.79% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.23% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.65% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.50% | 98.75% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.18% | 94.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.11% | 97.09% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.94% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.53% | 86.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.01% | 97.14% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.92% | 89.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.99% | 95.89% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.62% | 95.50% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.20% | 96.47% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.13% | 99.23% |
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 | 139590999 |
| LOTUS | LTS0051384 |
| wikiData | Q104990423 |