22-deoxy-10-oxominiolutelide B
| Internal ID | 6e5772ee-d396-4199-a312-df2e5fe95038 |
| Taxonomy | Organoheterocyclic compounds > Furopyrans |
| IUPAC Name | methyl (1S,2S,3R,11R,12S,14R,17R,19S,21R)-3-hydroxy-2,6,6,11,14,19-hexamethyl-8,15,20-trioxo-7,16,18-trioxapentacyclo[12.6.1.02,12.05,10.017,21]henicosa-4,9-diene-1-carboxylate |
| SMILES (Canonical) | CC1C2CC3(C4C(OC(C(=O)C4(C2(C(C=C5C1=CC(=O)OC5(C)C)O)C)C(=O)OC)C)OC3=O)C |
| SMILES (Isomeric) | C[C@@H]1[C@@H]2C[C@@]3([C@H]4[C@H](O[C@H](C(=O)[C@]4([C@]2([C@@H](C=C5C1=CC(=O)OC5(C)C)O)C)C(=O)OC)C)OC3=O)C |
| InChI | InChI=1S/C26H32O9/c1-11-13-8-17(28)35-23(3,4)14(13)9-16(27)25(6)15(11)10-24(5)18-20(34-21(24)30)33-12(2)19(29)26(18,25)22(31)32-7/h8-9,11-12,15-16,18,20,27H,10H2,1-7H3/t11-,12-,15-,16+,18+,20+,24+,25+,26-/m0/s1 |
| InChI Key | XGVYEEWRZLZVBE-KUALTSLDSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C26H32O9 |
| Molecular Weight | 488.50 g/mol |
| Exact Mass | 488.20463259 g/mol |
| Topological Polar Surface Area (TPSA) | 125.00 Ų |
| XlogP | 1.40 |
| methyl (1S,2S,3R,11R,12S,14R,17R,19S,21R)-3-hydroxy-2,6,6,11,14,19-hexamethyl-8,15,20-trioxo-7,16,18-trioxapentacyclo[12.6.1.02,12.05,10.017,21]henicosa-4,9-diene-1-carboxylate |
| methyl (1S,2S,3R,11R,12S,14R,17R,19S,21R)-3-hydroxy-2,6,6,11,14,19-hexamethyl-8,15,20-trioxo-7,16,18-trioxapentacyclo(12.6.1.02,12.05,10.017,21)henicosa-4,9-diene-1-carboxylate |
| RefChem:89701 |
| CHEMBL4277222 |
| CHEBI:217108 |
| 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 | 97.94% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.73% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.62% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.32% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.99% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.60% | 95.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.05% | 97.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.71% | 96.77% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.71% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.62% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.87% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.63% | 97.09% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.46% | 94.33% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.25% | 97.79% |
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 | 145985415 |
| LOTUS | LTS0187574 |
| wikiData | Q105327872 |