Microsporanate D
| Internal ID | 5c8cbe0c-ece5-4a67-92bc-70a020c76eb8 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesterterpenoids |
| IUPAC Name | [(2S,3S,4R,6R)-6-[[(1S,5S,6R,9S,11E,13S,16S,17S,18S,20S,21R,22S)-9-[(2R,4S,5R,6R)-4-amino-5-(methoxycarbonylamino)-4,6-dimethyloxan-2-yl]oxy-5,23-dihydroxy-8,12,18,20,22-pentamethyl-25,27-dioxo-3-[(E)-3-oxobut-1-enyl]-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-3,7,11,14,23-pentaen-17-yl]oxy]-4-[(2S,5R,6S)-5-[(2R,4R,5R,6S)-4-hydroxy-5-[(2S,5R,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-methyloxan-3-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C70H102N2O22/c1-32-15-21-50(89-57-31-68(12,71)63(41(10)87-57)72-67(81)82-14)33(2)26-46-48(76)27-43(17-16-36(5)73)30-70(46)65(79)58(66(80)94-70)64(78)69(13)45(32)19-18-44-59(69)34(3)25-35(4)60(44)93-56-29-52(62(40(9)86-56)88-42(11)74)91-53-24-22-51(38(7)84-53)90-55-28-49(77)61(39(8)85-55)92-54-23-20-47(75)37(6)83-54/h15-19,26-27,34-35,37-41,44-57,59-63,75-78H,20-25,28-31,71H2,1-14H3,(H,72,81)/b17-16+,32-15+,33-26?,64-58?/t34-,35-,37-,38-,39-,40-,41+,44-,45-,46+,47+,48-,49+,50-,51+,52+,53-,54-,55+,56-,57-,59+,60-,61-,62-,63-,68-,69+,70-/m0/s1 |
| InChI Key | WXAJQYIAXRIMRT-VARCDQSMSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C70H102N2O22 |
| Molecular Weight | 1323.60 g/mol |
| Exact Mass | 1322.69242289 g/mol |
| Topological Polar Surface Area (TPSA) | 324.00 Ų |
| XlogP | 5.10 |
| 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 | 99.89% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.83% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.41% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.87% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.83% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.02% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.83% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.77% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.36% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 92.08% | 92.94% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.40% | 99.23% |
| CHEMBL5028 | O14672 | ADAM10 | 90.05% | 97.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.51% | 94.73% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.04% | 93.56% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 86.71% | 94.08% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.82% | 91.19% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.40% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.21% | 99.17% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 85.14% | 94.62% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.94% | 99.15% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 83.92% | 97.53% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 83.91% | 94.23% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.59% | 91.07% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.29% | 89.50% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 82.04% | 83.00% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 81.90% | 97.53% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.58% | 96.00% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 81.00% | 97.33% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.89% | 83.82% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.59% | 90.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.01% | 95.89% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 139589721 |
| LOTUS | LTS0201266 |
| wikiData | Q105314476 |