Cruentaren A
| Internal ID | f21af063-809d-48af-8557-8aab1c3cd983 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | N-[(Z)-7-[(6Z)-10,16-dihydroxy-14-methoxy-9-methyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(12),6,13,15-tetraen-4-yl]-6-hydroxy-5-methyloct-2-enyl]-3-hydroxy-2-methylhexanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H51NO8/c1-7-12-26(35)22(4)32(39)34-16-11-10-14-21(3)31(38)23(5)29-15-9-8-13-20(2)27(36)18-24-17-25(41-6)19-28(37)30(24)33(40)42-29/h8-11,17,19-23,26-27,29,31,35-38H,7,12-16,18H2,1-6H3,(H,34,39)/b9-8-,11-10- |
| InChI Key | UXPPKIOUXFFKDI-XESWYYRISA-N |
| Popularity | 13 references in papers |
| Molecular Formula | C33H51NO8 |
| Molecular Weight | 589.80 g/mol |
| Exact Mass | 589.36146759 g/mol |
| Topological Polar Surface Area (TPSA) | 146.00 Ų |
| XlogP | 5.80 |
| N-[(Z)-7-[(6Z)-10,16-Dihydroxy-14-methoxy-9-methyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(12),6,13,15-tetraen-4-yl]-6-hydroxy-5-methyloct-2-enyl]-3-hydroxy-2-methylhexanamide |
| N-((Z)-7-((6Z)-10,16-dihydroxy-14-methoxy-9-methyl-2-oxo-3-oxabicyclo(10.4.0)hexadeca-1(12),6,13,15-tetraen-4-yl)-6-hydroxy-5-methyloct-2-enyl)-3-hydroxy-2-methylhexanamide |
| RefChem:128573 |
| SCHEMBL29366571 |
| CHEBI:188805 |
| 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 | 99.05% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.49% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.68% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.33% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.71% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.31% | 95.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 93.97% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.88% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.14% | 85.14% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 91.10% | 91.07% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 91.01% | 80.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 90.99% | 97.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.76% | 91.19% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.65% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.61% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.97% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.33% | 94.73% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.78% | 95.93% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 84.60% | 85.31% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.75% | 97.09% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 83.52% | 96.25% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 82.92% | 96.76% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.66% | 95.50% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.10% | 96.38% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.99% | 93.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.57% | 90.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 80.77% | 98.59% |
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 | 16091466 |
| LOTUS | LTS0107233 |
| wikiData | Q77568370 |