(6a)-21,21-O-dihydroophiobolin G
| Internal ID | 87bbb818-dbc9-4265-a0cc-7cabd173598f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesterterpenoids > Ophiobolane sesterterpenoids |
| IUPAC Name | (1R,3S,8E,11S,12R)-8-(hydroxymethyl)-1,4-dimethyl-12-[(2S,3Z)-6-methylhepta-3,5-dien-2-yl]tricyclo[9.3.0.03,7]tetradeca-4,8-dien-6-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H36O2/c1-16(2)7-6-8-17(3)20-11-12-25(5)14-21-18(4)13-23(27)24(21)19(15-26)9-10-22(20)25/h6-9,13,17,20-22,24,26H,10-12,14-15H2,1-5H3/b8-6-,19-9-/t17-,20+,21+,22-,24?,25+/m0/s1 |
| InChI Key | GUXDHNIKRQCWIE-WMZUYDDLSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C25H36O2 |
| Molecular Weight | 368.60 g/mol |
| Exact Mass | 368.271530387 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 5.30 |
| CHEBI:181659 |
| NCGC00385006-01 |
| (1R,3S,8E,11S,12R)-8-(hydroxymethyl)-1,4-dimethyl-12-[(2S,3Z)-6-methylhepta-3,5-dien-2-yl]tricyclo[9.3.0.03,7]tetradeca-4,8-dien-6-one |
| NCGC00385006-01_C25H36O2_Dicyclopenta[a,d]cycloocten-3(3aH)-one, 7-[(2Z)-1,5-dimethyl-2,4-hexadien-1-yl]-6,6a,7,8,9,9a,10,10a-octahydro-4-(hydroxymethyl)-1,9a-dimethyl-, (4E,6aS,7R,9aR,10aS)- |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.25% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.61% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.72% | 94.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.29% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.78% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.06% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.70% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.24% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.02% | 95.93% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.37% | 94.45% |
| CHEMBL1871 | P10275 | Androgen Receptor | 87.93% | 96.43% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 86.91% | 96.61% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.77% | 93.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.52% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.43% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.35% | 95.89% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.59% | 97.79% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.09% | 82.69% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.16% | 91.07% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.98% | 90.08% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 46705455 |
| LOTUS | LTS0199492 |
| wikiData | Q75056982 |