Moriniafungin C
| Internal ID | e42c9a4b-f475-44d9-af5c-ab0a6e9e2b40 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | (1R,2S,4R,5R,8R,9S,11R)-2-[[(2S,5R,6R,7R,9R,10R)-2-(3-carboxypropyl)-10-hydroxy-6-methoxy-7-methyl-3-oxo-1,4,8-trioxaspiro[4.5]decan-9-yl]oxymethyl]-9-formyl-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H46O12/c1-16(2)22-11-19-12-30(14-34)21-10-9-17(3)20(21)13-31(19,32(22,30)29(39)40)15-42-28-25(37)33(26(41-5)18(4)43-28)44-23(27(38)45-33)7-6-8-24(35)36/h11,14,16-21,23,25-26,28,37H,6-10,12-13,15H2,1-5H3,(H,35,36)(H,39,40)/t17-,18-,19+,20-,21-,23+,25-,26-,28-,30+,31+,32+,33-/m1/s1 |
| InChI Key | JBXRTZFEVOCOPB-RLMTYQQZSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C33H46O12 |
| Molecular Weight | 634.70 g/mol |
| Exact Mass | 634.29892690 g/mol |
| Topological Polar Surface Area (TPSA) | 175.00 Ų |
| XlogP | 1.90 |
| CHEMBL4572240 |
| 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 | 99.09% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.94% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.09% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.99% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.85% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.73% | 99.17% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.13% | 96.77% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 91.10% | 93.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.36% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.52% | 94.73% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.34% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.46% | 86.33% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 86.90% | 97.36% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.09% | 99.23% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.64% | 96.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.27% | 90.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.97% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.27% | 89.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.98% | 90.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.02% | 99.15% |
| CHEMBL4330 | Q9NS75 | Cysteinyl leukotriene receptor 2 | 81.31% | 98.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.24% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.00% | 100.00% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 80.00% | 94.97% |
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 | 145721228 |
| LOTUS | LTS0083930 |
| wikiData | Q105124635 |