2-Methyl-15-[1-(2,4,5-trihydroxy-4,5-dimethyloxan-2-yl)ethyl]-8-oxapentacyclo[9.8.0.02,7.07,9.012,17]nonadeca-4,12(17),13,15-tetraen-3-one
Internal ID | 89490f6e-0519-4ff0-90b6-1e583fd1d987 |
Taxonomy | Benzenoids > Phenanthrenes and derivatives |
IUPAC Name | 2-methyl-15-[1-(2,4,5-trihydroxy-4,5-dimethyloxan-2-yl)ethyl]-8-oxapentacyclo[9.8.0.02,7.07,9.012,17]nonadeca-4,12(17),13,15-tetraen-3-one |
SMILES (Canonical) | CC(C1=CC2=C(C=C1)C3CC4C5(O4)CC=CC(=O)C5(C3CC2)C)C6(CC(C(CO6)(C)O)(C)O)O |
SMILES (Isomeric) | CC(C1=CC2=C(C=C1)C3CC4C5(O4)CC=CC(=O)C5(C3CC2)C)C6(CC(C(CO6)(C)O)(C)O)O |
InChI | InChI=1S/C28H36O6/c1-16(28(32)14-24(2,30)25(3,31)15-33-28)17-7-9-19-18(12-17)8-10-21-20(19)13-23-27(34-23)11-5-6-22(29)26(21,27)4/h5-7,9,12,16,20-21,23,30-32H,8,10-11,13-15H2,1-4H3 |
InChI Key | PWJFVQWBQJRDTE-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C28H36O6 |
Molecular Weight | 468.60 g/mol |
Exact Mass | 468.25118886 g/mol |
Topological Polar Surface Area (TPSA) | 99.50 Ų |
XlogP | 2.20 |
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 |
---|---|---|---|---|
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.14% | 85.14% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.13% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.02% | 96.09% |
CHEMBL2581 | P07339 | Cathepsin D | 96.58% | 98.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.79% | 94.45% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 94.27% | 91.49% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.86% | 97.25% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.68% | 95.56% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 92.43% | 95.89% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.11% | 97.09% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.52% | 89.00% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.92% | 100.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.25% | 95.89% |
CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 88.10% | 85.11% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.80% | 92.62% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.52% | 90.71% |
CHEMBL1907598 | P05106 | Integrin alpha-V/beta-3 | 87.52% | 95.71% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.20% | 99.23% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.52% | 91.19% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.51% | 83.82% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.21% | 97.14% |
CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.40% | 91.24% |
CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.86% | 100.00% |
CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.11% | 91.03% |
CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 81.09% | 92.50% |
CHEMBL4444 | P04070 | Vitamin K-dependent protein C | 80.41% | 93.89% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.28% | 86.33% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.27% | 93.56% |
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.
Salpichroa origanifolia |
PubChem | 85388015 |
LOTUS | LTS0090928 |
wikiData | Q105148087 |