[(1S,12S,13R,14R)-19,20-dimethoxy-13,14-dimethyl-18-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,19-pentaen-12-yl] (Z)-2-methylbut-2-enoate
Internal ID | 25ee1771-3dba-4d23-8c83-48f970b53242 |
Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
IUPAC Name | [(1S,12S,13R,14R)-19,20-dimethoxy-13,14-dimethyl-18-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,19-pentaen-12-yl] (Z)-2-methylbut-2-enoate |
SMILES (Canonical) | CC=C(C)C(=O)OC1C(C(CC2=CC(=O)C(=C(C23COC4=C3C1=CC5=C4OCO5)OC)OC)C)C |
SMILES (Isomeric) | C/C=C(/C)\C(=O)O[C@H]1[C@@H]([C@@H](CC2=CC(=O)C(=C([C@@]23COC4=C3C1=CC5=C4OCO5)OC)OC)C)C |
InChI | InChI=1S/C27H30O8/c1-7-13(2)26(29)35-21-15(4)14(3)8-16-9-18(28)22(30-5)25(31-6)27(16)11-32-24-20(27)17(21)10-19-23(24)34-12-33-19/h7,9-10,14-15,21H,8,11-12H2,1-6H3/b13-7-/t14-,15-,21+,27+/m1/s1 |
InChI Key | NACPYYYBTUKNNL-DITIAMETSA-N |
Popularity | 0 references in papers |
Molecular Formula | C27H30O8 |
Molecular Weight | 482.50 g/mol |
Exact Mass | 482.19406791 g/mol |
Topological Polar Surface Area (TPSA) | 89.50 Ų |
XlogP | 4.10 |
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 | 97.83% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.28% | 96.09% |
CHEMBL325 | Q13547 | Histone deacetylase 1 | 95.34% | 95.92% |
CHEMBL2581 | P07339 | Cathepsin D | 95.00% | 98.95% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.99% | 95.56% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.68% | 96.77% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 94.09% | 94.80% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.55% | 86.33% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.19% | 94.45% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.09% | 89.00% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.27% | 91.19% |
CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 88.04% | 98.75% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.81% | 92.62% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.50% | 85.14% |
CHEMBL1902 | P62942 | FK506-binding protein 1A | 85.12% | 97.05% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.98% | 95.89% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.76% | 95.50% |
CHEMBL2535 | P11166 | Glucose transporter | 82.75% | 98.75% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.52% | 97.09% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.75% | 97.14% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.32% | 97.25% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.00% | 100.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.71% | 99.17% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.62% | 94.00% |
CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 80.17% | 89.44% |
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.
Kadsura heteroclita |
PubChem | 101621395 |
LOTUS | LTS0071121 |
wikiData | Q104400908 |