6,15-Dihydroxy-15-(4-hydroxy-4,5-dimethyl-3-oxo-2-oxabicyclo[3.2.1]octan-7-yl)-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
Internal ID | 28384bcf-6700-4570-a649-89a14b6b295f |
Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid lactones |
IUPAC Name | 6,15-dihydroxy-15-(4-hydroxy-4,5-dimethyl-3-oxo-2-oxabicyclo[3.2.1]octan-7-yl)-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one |
SMILES (Canonical) | CC12CCC3C(C1CCC2(C4CC5(CC4OC(=O)C5(C)O)C)O)CC6C7(C3(C(=O)C=CC7O)C)O6 |
SMILES (Isomeric) | CC12CCC3C(C1CCC2(C4CC5(CC4OC(=O)C5(C)O)C)O)CC6C7(C3(C(=O)C=CC7O)C)O6 |
InChI | InChI=1S/C28H38O7/c1-23-12-17(18(13-23)34-22(31)26(23,4)32)27(33)10-8-15-14-11-21-28(35-21)20(30)6-5-19(29)25(28,3)16(14)7-9-24(15,27)2/h5-6,14-18,20-21,30,32-33H,7-13H2,1-4H3 |
InChI Key | FKQUQCYOBZEPTK-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C28H38O7 |
Molecular Weight | 486.60 g/mol |
Exact Mass | 486.26175355 g/mol |
Topological Polar Surface Area (TPSA) | 117.00 Ų |
XlogP | 2.00 |
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 |
---|---|---|---|---|
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.18% | 94.45% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.17% | 96.09% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.48% | 97.09% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.92% | 97.14% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.52% | 97.25% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.25% | 91.11% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.43% | 95.56% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.93% | 100.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.26% | 95.89% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.06% | 82.69% |
CHEMBL1871 | P10275 | Androgen Receptor | 84.03% | 96.43% |
CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 83.29% | 94.50% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.59% | 85.14% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.25% | 91.07% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.63% | 86.33% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.57% | 92.62% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.54% | 97.28% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.05% | 96.61% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.02% | 99.23% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.63% | 93.04% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.24% | 94.00% |
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.
Saracha nigribaccata |
Tubocapsicum anomalum |
PubChem | 3718042 |
LOTUS | LTS0127577 |
wikiData | Q104996752 |