Hydroxyikarugamycin C
| Internal ID | 7edaf463-b4fd-44a1-a554-cc8ea1109772 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Iridoids and derivatives |
| IUPAC Name | (3E,5S,7R,8R,10R,11R,12R,13S,14S,15R,16S,18Z,25S)-2,13,14-trihydroxy-11-[(1R)-1-hydroxyethyl]-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1,3,18-triene-20,27,28-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H40N2O7/c1-13-11-17-18-12-15-8-9-20(33)25-26(35)19(31-29(25)38)6-4-10-30-21(34)7-3-5-16(15)23(18)27(36)28(37)24(17)22(13)14(2)32/h3,7-9,13-19,22-24,27-28,32-33,36-37H,4-6,10-12H2,1-2H3,(H,30,34)(H,31,38)/b7-3-,9-8+,25-20?/t13-,14-,15-,16+,17-,18-,19+,22+,23-,24-,27+,28+/m1/s1 |
| InChI Key | RGIYQRIEWZMVCW-NRBUPWTDSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C29H40N2O7 |
| Molecular Weight | 528.60 g/mol |
| Exact Mass | 528.28355162 g/mol |
| Topological Polar Surface Area (TPSA) | 156.00 Ų |
| XlogP | 2.00 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.62% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.16% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.93% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.47% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 95.45% | 94.75% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 94.46% | 93.03% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 94.22% | 92.88% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.01% | 97.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 92.68% | 90.08% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 92.40% | 96.21% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.64% | 85.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.15% | 96.77% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 89.65% | 91.07% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.93% | 100.00% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 88.79% | 95.56% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.45% | 95.93% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 87.99% | 91.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.73% | 89.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.14% | 82.69% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.91% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.25% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.40% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.18% | 98.75% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 81.85% | 91.76% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 81.48% | 88.56% |
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 | 139590316 |
| LOTUS | LTS0198070 |
| wikiData | Q105235895 |