Aspergiloid B
| Internal ID | a2a0e835-c072-4697-aaea-91d4cbbc982e |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | (9S,12S)-9,12-dimethoxy-6,6,14-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),13,15-tetraen-8-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H26O4/c1-12-8-9-14-13-7-6-10-20(2,3)18(13)19(22)21(24-5)17(14)16(12)15(23-4)11-25-21/h8-9,15H,6-7,10-11H2,1-5H3/t15-,21+/m1/s1 |
| InChI Key | ODERPRVQIBXIDX-VFNWGFHPSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H26O4 |
| Molecular Weight | 342.40 g/mol |
| Exact Mass | 342.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 44.80 Ų |
| XlogP | 3.30 |
| (9S,12S)-9,12-dimethoxy-6,6,14-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),13,15-tetraen-8-one |
| (9S,12S)-9,12-dimethoxy-6,6,14-trimethyl-10-oxatetracyclo(7.7.1.02,7.013,17)heptadeca-1(17),2(7),13,15-tetraen-8-one |
| RefChem:114847 |
| CHEMBL1952036 |
| CHEBI:215186 |
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.73% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.23% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.03% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.76% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.76% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.74% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.29% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.05% | 97.25% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.81% | 94.00% |
| CHEMBL2337 | P48067 | Glycine transporter 1 | 87.97% | 95.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.44% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.26% | 94.75% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.01% | 96.38% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.78% | 99.23% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 84.05% | 90.93% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.94% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.71% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.46% | 94.73% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.03% | 93.31% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.82% | 96.09% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.02% | 82.38% |
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 | 57333710 |
| LOTUS | LTS0223284 |
| wikiData | Q77562482 |