Rhizoxin D
| Internal ID | f90a867d-5c55-4a24-b40c-42a8dfa1278b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | (1R,3E,7S,9S,10E,12E,14R,15R)-9-hydroxy-7-[(2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-10,14-dimethyl-6,16-dioxabicyclo[13.3.1]nonadeca-3,10,12-triene-5,17-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H47NO7/c1-22(17-29-21-41-27(6)36-29)11-8-14-25(4)35(40-7)26(5)32-20-30(37)23(2)12-9-13-24(3)31-18-28(19-34(39)42-31)15-10-16-33(38)43-32/h8-14,16-17,21,24,26,28,30-32,35,37H,15,18-20H2,1-7H3/b11-8+,13-9+,16-10+,22-17+,23-12+,25-14+/t24-,26+,28-,30+,31-,32+,35+/m1/s1 |
| InChI Key | BDCIVUTULLELHY-BRPJXHCYSA-N |
| Popularity | 13 references in papers |
| Molecular Formula | C35H47NO7 |
| Molecular Weight | 593.70 g/mol |
| Exact Mass | 593.33525284 g/mol |
| Topological Polar Surface Area (TPSA) | 108.00 Ų |
| XlogP | 6.90 |
| (1R,3E,7S,9S,10E,12E,14R,15R)-9-hydroxy-7-[(2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-10,14-dimethyl-6,16-dioxabicyclo[13.3.1]nonadeca-3,10,12-triene-5,17-dione |
| InChI=1/C35H47NO7/c1-22(17-29-21-41-27(6)36-29)11-8-14-25(4)35(40-7)26(5)32-20-30(37)23(2)12-9-13-24(3)31-18-28(19-34(39)42-31)15-10-16-33(38)43-32/h8-14,16-17,21,24,26,28,30-32,35,37H,15,18-20H2,1-7H3/b11-8+,13-9+,16-10+,22-17+,23-12+,25-14+/t24-,26+,28- |
| 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 |
|---|---|---|---|---|
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.63% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.52% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.78% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.02% | 93.40% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 88.87% | 93.65% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.10% | 91.11% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 86.50% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.18% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.30% | 96.09% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 85.28% | 97.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.15% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.57% | 90.71% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 84.48% | 89.63% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.27% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.99% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.90% | 94.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.45% | 93.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.37% | 94.75% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.32% | 94.80% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.31% | 96.77% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.59% | 93.03% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 81.00% | 97.56% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 80.69% | 97.47% |
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 | 9808665 |
| LOTUS | LTS0135991 |
| wikiData | Q104923844 |