[(1S,12R,13S,14S,15S)-14-hydroxy-19,20-dimethoxy-13,14-dimethyl-18-oxo-12-propanoyloxy-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,19-pentaen-15-yl] (Z)-2-methylbut-2-enoate
Internal ID | 7ac1df16-2f7b-4e8d-b366-31a48c2d8ee1 |
Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
IUPAC Name | [(1S,12R,13S,14S,15S)-14-hydroxy-19,20-dimethoxy-13,14-dimethyl-18-oxo-12-propanoyloxy-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,19-pentaen-15-yl] (Z)-2-methylbut-2-enoate |
SMILES (Canonical) | CCC(=O)OC1C(C(C(C2=CC(=O)C(=C(C23COC4=C3C1=CC5=C4OCO5)OC)OC)OC(=O)C(=CC)C)(C)O)C |
SMILES (Isomeric) | CCC(=O)O[C@@H]1[C@@H]([C@]([C@H](C2=CC(=O)C(=C([C@@]23COC4=C3C1=CC5=C4OCO5)OC)OC)OC(=O)/C(=C\C)/C)(C)O)C |
InChI | InChI=1S/C30H34O11/c1-8-14(3)28(33)41-26-17-11-18(31)23(35-6)27(36-7)30(17)12-37-25-21(30)16(10-19-24(25)39-13-38-19)22(40-20(32)9-2)15(4)29(26,5)34/h8,10-11,15,22,26,34H,9,12-13H2,1-7H3/b14-8-/t15-,22+,26-,29-,30-/m0/s1 |
InChI Key | KEOVUHLWGGQWOT-HUMYBWORSA-N |
Popularity | 0 references in papers |
Molecular Formula | C30H34O11 |
Molecular Weight | 570.60 g/mol |
Exact Mass | 570.21011190 g/mol |
Topological Polar Surface Area (TPSA) | 136.00 Ų |
XlogP | 2.80 |
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 | 99.39% | 91.11% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 99.27% | 96.77% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.17% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.10% | 94.45% |
CHEMBL2581 | P07339 | Cathepsin D | 97.02% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.40% | 89.00% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.46% | 92.62% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 92.21% | 96.95% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.12% | 95.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.03% | 86.33% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 88.78% | 94.80% |
CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 88.10% | 85.30% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.97% | 99.23% |
CHEMBL325 | Q13547 | Histone deacetylase 1 | 85.90% | 95.92% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.18% | 91.19% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.16% | 97.09% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.81% | 100.00% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.63% | 97.25% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.62% | 95.50% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.08% | 99.17% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.74% | 85.14% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.56% | 95.89% |
CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.53% | 98.75% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.00% | 92.94% |
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 | 163189802 |
LOTUS | LTS0182292 |
wikiData | Q105140121 |