10,21-Dihydroxy-5,5,6,18,18-pentamethyl-2,7,19-trioxapentacyclo[11.8.0.03,11.04,8.015,20]henicosa-1(13),3(11),4(8),9,14,16,20-heptaen-12-one
Internal ID | d6fde676-bbd4-4e0e-a06f-93d8d289d53f |
Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > Pyranoxanthones |
IUPAC Name | 10,21-dihydroxy-5,5,6,18,18-pentamethyl-2,7,19-trioxapentacyclo[11.8.0.03,11.04,8.015,20]henicosa-1(13),3(11),4(8),9,14,16,20-heptaen-12-one |
SMILES (Canonical) | CC1C(C2=C(O1)C=C(C3=C2OC4=C(C3=O)C=C5C=CC(OC5=C4O)(C)C)O)(C)C |
SMILES (Isomeric) | CC1C(C2=C(O1)C=C(C3=C2OC4=C(C3=O)C=C5C=CC(OC5=C4O)(C)C)O)(C)C |
InChI | InChI=1S/C23H22O6/c1-10-23(4,5)16-14(27-10)9-13(24)15-17(25)12-8-11-6-7-22(2,3)29-19(11)18(26)20(12)28-21(15)16/h6-10,24,26H,1-5H3 |
InChI Key | JLUDWKYIDWFAGN-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C23H22O6 |
Molecular Weight | 394.40 g/mol |
Exact Mass | 394.14163842 g/mol |
Topological Polar Surface Area (TPSA) | 85.20 Ų |
XlogP | 5.00 |
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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.16% | 91.11% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 97.41% | 91.49% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.68% | 89.00% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.70% | 99.23% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.68% | 85.14% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.59% | 95.56% |
CHEMBL2581 | P07339 | Cathepsin D | 89.94% | 98.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.83% | 94.45% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.14% | 94.75% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.59% | 94.00% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.64% | 93.99% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.31% | 92.94% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.05% | 100.00% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.16% | 94.80% |
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.
Garcinia scortechinii |
Momordica charantia |
PubChem | 163007206 |
LOTUS | LTS0038802 |
wikiData | Q105210491 |