Ophiobolin Z
| Internal ID | bb6b2fbe-0347-4af7-a5b0-461cfd4671e9 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (1S,3R,6R,7S,11R,13R,15R,16R)-11,13-dimethoxy-3,15-dimethyl-6-[(2S,3Z)-6-methylhepta-3,5-dien-2-yl]-12-oxatetracyclo[8.5.1.03,7.013,16]hexadec-9-en-15-ol |
| SMILES (Canonical) | CC(C=CC=C(C)C)C1CCC2(C1CC=C3C4C(C2)C(CC4(OC3OC)OC)(C)O)C |
| SMILES (Isomeric) | C[C@@H](/C=C\C=C(C)C)[C@H]1CC[C@]2([C@H]1CC=C3[C@H]4[C@H](C2)[C@](C[C@]4(O[C@H]3OC)OC)(C)O)C |
| InChI | InChI=1S/C27H42O4/c1-17(2)9-8-10-18(3)19-13-14-25(4)15-22-23-20(11-12-21(19)25)24(29-6)31-27(23,30-7)16-26(22,5)28/h8-11,18-19,21-24,28H,12-16H2,1-7H3/b10-8-,20-11?/t18-,19+,21-,22-,23-,24+,25+,26+,27+/m0/s1 |
| InChI Key | IJDXBTKKTDHRMD-VKPCNJBFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H42O4 |
| Molecular Weight | 430.60 g/mol |
| Exact Mass | 430.30830982 g/mol |
| Topological Polar Surface Area (TPSA) | 47.90 Ų |
| XlogP | 5.20 |
| 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 | 97.43% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.35% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.66% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.99% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.89% | 94.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.10% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.80% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.03% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.41% | 97.14% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.79% | 93.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.54% | 90.17% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.38% | 91.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.50% | 89.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 82.56% | 85.30% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.20% | 100.00% |
| CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 81.31% | 97.88% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.54% | 86.33% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.07% | 96.43% |
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 | 139589869 |
| LOTUS | LTS0073657 |
| wikiData | Q105113905 |