Alternarlactone A
| Internal ID | 14968465-e28b-4427-b15d-e9f273167052 |
| Taxonomy | Organoheterocyclic compounds > Benzoxepines > Dibenzoxepines |
| IUPAC Name | (24R,27R)-8,14,20,27-tetrahydroxy-6,18-dimethoxy-24-methyl-11,16,23-trioxaoctacyclo[15.10.2.02,15.03,12.04,9.05,27.021,29.024,28]nonacosa-1(28),2(15),3(12),4(9),5,7,13,17,19,21(29)-decaene-10,22,26-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H18O12/c1-28-7-14(33)29(36)21-12(37-2)4-8(30)15-18(21)17-11(39-26(15)34)6-10(32)24-20(17)23(29)22(28)19-16(27(35)41-28)9(31)5-13(38-3)25(19)40-24/h4-6,30-32,36H,7H2,1-3H3/t28-,29+/m1/s1 |
| InChI Key | OFVMKRVGBKSDLT-WDYNHAJCSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C29H18O12 |
| Molecular Weight | 558.40 g/mol |
| Exact Mass | 558.07982601 g/mol |
| Topological Polar Surface Area (TPSA) | 178.00 Ų |
| XlogP | 2.20 |
| (24R,27R)-8,14,20,27-tetrahydroxy-6,18-dimethoxy-24-methyl-11,16,23-trioxaoctacyclo[15.10.2.02,15.03,12.04,9.05,27.021,29.024,28]nonacosa-1(28),2(15),3(12),4(9),5,7,13,17,19,21(29)-decaene-10,22,26-trione |
| (24R,27R)-8,14,20,27-tetrahydroxy-6,18-dimethoxy-24-methyl-11,16,23-trioxaoctacyclo(15.10.2.02,15.03,12.04,9.05,27.021,29.024,28)nonacosa-1(28),2(15),3(12),4(9),5,7,13,17,19,21(29)-decaene-10,22,26-trione |
| RefChem:111536 |
| CHEBI:226021 |
| 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 | 99.16% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 96.83% | 93.99% |
| CHEMBL240 | Q12809 | HERG | 96.68% | 89.76% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.51% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.58% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.23% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.10% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.01% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.76% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.01% | 89.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.61% | 95.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.54% | 90.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 85.69% | 85.30% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.61% | 99.15% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 85.19% | 90.20% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.72% | 97.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.67% | 94.73% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.07% | 92.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.67% | 98.75% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.65% | 96.77% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 83.04% | 96.67% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.63% | 85.14% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 82.60% | 89.63% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.96% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.79% | 92.94% |
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 | 146682085 |
| LOTUS | LTS0174640 |
| wikiData | Q105191421 |