isogosterone A
| Internal ID | cd10643d-3b5b-487f-b915-b50f9e5ffae6 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Oxosteroids > 3-oxosteroids > 3-oxo delta-1,4-steroids |
| IUPAC Name | [(1R,2R,10R,11S,13S,14S,16R)-10,14-dimethyl-16-[(2R)-6-methylheptan-2-yl]-7-oxo-15,19-dioxapentacyclo[14.2.1.01,14.02,11.05,10]nonadeca-5,8-dien-13-yl] acetate |
| SMILES (Canonical) | CC(C)CCCC(C)C12CCC3(O1)C4CCC5=CC(=O)C=CC5(C4CC(C3(O2)C)OC(=O)C)C |
| SMILES (Isomeric) | C[C@H](CCCC(C)C)[C@]12CC[C@@]3(O1)[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4C[C@@H]([C@@]3(O2)C)OC(=O)C)C |
| InChI | InChI=1S/C29H42O5/c1-18(2)8-7-9-19(3)29-15-14-28(34-29)23-11-10-21-16-22(31)12-13-26(21,5)24(23)17-25(32-20(4)30)27(28,6)33-29/h12-13,16,18-19,23-25H,7-11,14-15,17H2,1-6H3/t19-,23-,24+,25+,26+,27+,28-,29+/m1/s1 |
| InChI Key | ZZVFELKCOKHBRK-GQFSTAKUSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C29H42O5 |
| Molecular Weight | 470.60 g/mol |
| Exact Mass | 470.30322444 g/mol |
| Topological Polar Surface Area (TPSA) | 61.80 Ų |
| XlogP | 5.60 |
| CHEMBL519945 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.68% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.33% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.16% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 93.82% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.82% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.60% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.66% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.12% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.85% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.54% | 95.93% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.21% | 89.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 87.44% | 96.38% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.00% | 92.62% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.85% | 96.43% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.30% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.79% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.95% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.65% | 86.33% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 82.42% | 89.05% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.68% | 97.79% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.17% | 99.17% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.76% | 82.69% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.55% | 95.71% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.53% | 100.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.13% | 89.50% |
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 | 21589550 |
| LOTUS | LTS0072953 |
| wikiData | Q105387105 |