Brevione D
| Internal ID | 9104d8ae-aefe-4778-88aa-9c8bbb717117 |
| Taxonomy | Organoheterocyclic compounds > Pyrans > Pyranones and derivatives |
| IUPAC Name | (2S,3S,4'aR,6'aS,11'aS,11'bR)-3-hydroxy-3',4'a,6,7,7',11'a-hexamethylspiro[3H-furo[3,2-c]pyran-2,4'-5,6,6a,11b-tetrahydro-1H-cyclohepta[a]naphthalene]-4,9'-dione |
| SMILES (Canonical) | CC1=CCC2C(C13C(C4=C(O3)C(=C(OC4=O)C)C)O)(CCC5C2(C=CC(=O)C=C5C)C)C |
| SMILES (Isomeric) | CC1=CC[C@H]2[C@]([C@]13[C@H](C4=C(O3)C(=C(OC4=O)C)C)O)(CC[C@@H]5[C@@]2(C=CC(=O)C=C5C)C)C |
| InChI | InChI=1S/C27H32O5/c1-14-13-18(28)9-11-25(5)19(14)10-12-26(6)20(25)8-7-15(2)27(26)23(29)21-22(32-27)16(3)17(4)31-24(21)30/h7,9,11,13,19-20,23,29H,8,10,12H2,1-6H3/t19-,20+,23-,25-,26+,27+/m0/s1 |
| InChI Key | BZAWPVNAOLWAMU-ZSTIODBZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H32O5 |
| Molecular Weight | 436.50 g/mol |
| Exact Mass | 436.22497412 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 3.00 |
| 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 | 97.27% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.58% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.95% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.31% | 95.56% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 87.47% | 91.38% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.20% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.34% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.85% | 99.23% |
| CHEMBL1871 | P10275 | Androgen Receptor | 85.66% | 96.43% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.62% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.98% | 95.89% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.64% | 93.03% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.55% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.02% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.77% | 86.33% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.60% | 93.04% |
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 | 101092880 |
| LOTUS | LTS0224273 |
| wikiData | Q75059878 |