4-[12-Hydroxy-8,8,22,22-tetramethyl-5-(3-methylbut-2-enyl)-14,19-dioxo-3,7,16,21-tetraoxaheptacyclo[16.4.1.02,15.02,20.04,13.06,11.015,17]tricosa-4(13),5,9,11-tetraen-20-yl]-2-methylbut-2-enoic acid
Internal ID | 6bed421b-52d0-4ea1-90b7-7b303d9b2c8c |
Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > Pyranoxanthones |
IUPAC Name | 4-[12-hydroxy-8,8,22,22-tetramethyl-5-(3-methylbut-2-enyl)-14,19-dioxo-3,7,16,21-tetraoxaheptacyclo[16.4.1.02,15.02,20.04,13.06,11.015,17]tricosa-4(13),5,9,11-tetraen-20-yl]-2-methylbut-2-enoic acid |
SMILES (Canonical) | CC(=CCC1=C2C(=C(C3=C1OC45C6CC(C7C4(C3=O)O7)C(=O)C5(OC6(C)C)CC=C(C)C(=O)O)O)C=CC(O2)(C)C)C |
SMILES (Isomeric) | CC(=CCC1=C2C(=C(C3=C1OC45C6CC(C7C4(C3=O)O7)C(=O)C5(OC6(C)C)CC=C(C)C(=O)O)O)C=CC(O2)(C)C)C |
InChI | InChI=1S/C33H36O9/c1-15(2)8-9-18-23-17(11-12-29(4,5)39-23)22(34)21-24(18)40-33-20-14-19(27-32(33,41-27)26(21)36)25(35)31(33,42-30(20,6)7)13-10-16(3)28(37)38/h8,10-12,19-20,27,34H,9,13-14H2,1-7H3,(H,37,38) |
InChI Key | RTMLGMAUYDDZFR-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C33H36O9 |
Molecular Weight | 576.60 g/mol |
Exact Mass | 576.23593272 g/mol |
Topological Polar Surface Area (TPSA) | 132.00 Ų |
XlogP | 4.70 |
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 | 99.57% | 91.11% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 99.22% | 91.49% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.11% | 94.45% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.94% | 85.14% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.20% | 89.00% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 94.30% | 95.93% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.47% | 90.17% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.23% | 97.09% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.78% | 96.09% |
CHEMBL2581 | P07339 | Cathepsin D | 90.34% | 98.95% |
CHEMBL3401 | O75469 | Pregnane X receptor | 90.26% | 94.73% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.19% | 91.19% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.49% | 95.50% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.51% | 86.33% |
CHEMBL3038469 | P24941 | CDK2/Cyclin A | 86.37% | 91.38% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.16% | 99.23% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.48% | 94.75% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.14% | 95.56% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.38% | 100.00% |
CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.50% | 89.34% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.20% | 86.92% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.92% | 95.89% |
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 hanburyi |
PubChem | 73234764 |
LOTUS | LTS0114503 |
wikiData | Q105245262 |