15-[1-(5-Hydroxy-4,5-dimethyl-2,7-dioxabicyclo[2.2.1]heptan-1-yl)ethyl]-2-methyl-8-oxapentacyclo[9.8.0.02,7.07,9.012,17]nonadeca-4,12(17),13,15-tetraen-3-one
Internal ID | 18094c22-c5ba-4c09-8411-6b041648f6ea |
Taxonomy | Benzenoids > Phenanthrenes and derivatives |
IUPAC Name | 15-[1-(5-hydroxy-4,5-dimethyl-2,7-dioxabicyclo[2.2.1]heptan-1-yl)ethyl]-2-methyl-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)C67CC(C(O6)(CO7)C)(C)O |
SMILES (Isomeric) | CC(C1=CC2=C(C=C1)C3CC4C5(O4)CC=CC(=O)C5(C3CC2)C)C67CC(C(O6)(CO7)C)(C)O |
InChI | InChI=1S/C28H34O5/c1-16(28-14-24(2,30)25(3,33-28)15-31-28)17-7-9-19-18(12-17)8-10-21-20(19)13-23-27(32-23)11-5-6-22(29)26(21,27)4/h5-7,9,12,16,20-21,23,30H,8,10-11,13-15H2,1-4H3 |
InChI Key | PFIXEQLCBBLTGR-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C28H34O5 |
Molecular Weight | 450.60 g/mol |
Exact Mass | 450.24062418 g/mol |
Topological Polar Surface Area (TPSA) | 68.30 Ų |
XlogP | 3.20 |
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 | 99.44% | 85.14% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.30% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 97.32% | 98.95% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.13% | 96.09% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.86% | 97.25% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.13% | 94.45% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.83% | 97.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.36% | 95.56% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 91.23% | 95.89% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.44% | 95.89% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.32% | 89.00% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.65% | 100.00% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.42% | 90.71% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.72% | 99.23% |
CHEMBL1907598 | P05106 | Integrin alpha-V/beta-3 | 87.42% | 95.71% |
CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 87.38% | 85.11% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.65% | 97.14% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.55% | 91.19% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.03% | 93.40% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.98% | 92.62% |
CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.46% | 91.03% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 81.89% | 91.49% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.65% | 93.03% |
CHEMBL4444 | P04070 | Vitamin K-dependent protein C | 81.51% | 93.89% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 81.35% | 95.93% |
CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.31% | 91.24% |
CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 80.91% | 92.50% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.60% | 86.33% |
CHEMBL4208 | P20618 | Proteasome component C5 | 80.55% | 90.00% |
CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.08% | 100.00% |
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.
Gossypium hirsutum |
Salpichroa origanifolia |
PubChem | 85371756 |
LOTUS | LTS0250188 |
wikiData | Q105281492 |