(16R)-11,18,21-trihydroxy-19-methoxy-7,7-dimethyl-16-prop-1-en-2-yl-2,8-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,10,17(22),18,20-octaen-13-one
Internal ID | cd943009-1385-4c98-82ce-a3cb51019351 |
Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > Pyranoxanthones |
IUPAC Name | (16R)-11,18,21-trihydroxy-19-methoxy-7,7-dimethyl-16-prop-1-en-2-yl-2,8-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,10,17(22),18,20-octaen-13-one |
SMILES (Canonical) | CC(=C)C1CC2=C(C3=C1C(=C(C=C3O)OC)O)OC4=C(C2=O)C(=CC5=C4C=CC(O5)(C)C)O |
SMILES (Isomeric) | CC(=C)[C@H]1CC2=C(C3=C1C(=C(C=C3O)OC)O)OC4=C(C2=O)C(=CC5=C4C=CC(O5)(C)C)O |
InChI | InChI=1S/C26H24O7/c1-11(2)13-8-14-22(29)21-16(28)9-17-12(6-7-26(3,4)33-17)24(21)32-25(14)20-15(27)10-18(31-5)23(30)19(13)20/h6-7,9-10,13,27-28,30H,1,8H2,2-5H3/t13-/m1/s1 |
InChI Key | JBNMCXJOVKMBOP-CYBMUJFWSA-N |
Popularity | 0 references in papers |
Molecular Formula | C26H24O7 |
Molecular Weight | 448.50 g/mol |
Exact Mass | 448.15220310 g/mol |
Topological Polar Surface Area (TPSA) | 105.00 Ų |
XlogP | 5.10 |
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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.95% | 91.11% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.98% | 94.45% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.73% | 89.00% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 94.41% | 91.49% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.14% | 96.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.88% | 85.14% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.25% | 94.00% |
CHEMBL2581 | P07339 | Cathepsin D | 92.45% | 98.95% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.73% | 95.89% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.34% | 95.56% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.28% | 92.62% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.67% | 86.33% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.58% | 99.23% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.95% | 91.19% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.68% | 96.21% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.15% | 96.77% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.97% | 92.94% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.10% | 97.14% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.29% | 99.17% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.25% | 90.71% |
CHEMBL4208 | P20618 | Proteasome component C5 | 81.40% | 90.00% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.11% | 100.00% |
CHEMBL2535 | P11166 | Glucose transporter | 80.10% | 98.75% |
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.
Artocarpus altilis |
Erysimum rhaeticum |
PubChem | 163192992 |
LOTUS | LTS0090449 |
wikiData | Q105028887 |