(4,15-Diacetyloxy-14-hydroxy-11-methoxy-2,14,17-trimethyl-3-oxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl) 1,3-benzodioxole-5-carboxylate
Internal ID | 0e790dfa-2749-49fd-92a3-8f5ade57f47a |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Quassinoids |
IUPAC Name | (4,15-diacetyloxy-14-hydroxy-11-methoxy-2,14,17-trimethyl-3-oxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl) 1,3-benzodioxole-5-carboxylate |
SMILES (Canonical) | CC(=O)OC1CCC2CC3C4(C(CC(O3)OC)C(C(C(C4C2(C1=O)C)OC(=O)C5=CC6=C(C=C5)OCO6)OC(=O)C)(C)O)C |
SMILES (Isomeric) | CC(=O)OC1CCC2CC3C4(C(CC(O3)OC)C(C(C(C4C2(C1=O)C)OC(=O)C5=CC6=C(C=C5)OCO6)OC(=O)C)(C)O)C |
InChI | InChI=1S/C32H40O12/c1-15(33)41-20-10-8-18-12-23-31(4)22(13-24(38-6)43-23)32(5,37)28(42-16(2)34)25(26(31)30(18,3)27(20)35)44-29(36)17-7-9-19-21(11-17)40-14-39-19/h7,9,11,18,20,22-26,28,37H,8,10,12-14H2,1-6H3 |
InChI Key | AXKONZQQIZYBRP-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C32H40O12 |
Molecular Weight | 616.70 g/mol |
Exact Mass | 616.25197671 g/mol |
Topological Polar Surface Area (TPSA) | 153.00 Ų |
XlogP | 3.20 |
There are no found synonyms. |
![2D Structure of (4,15-Diacetyloxy-14-hydroxy-11-methoxy-2,14,17-trimethyl-3-oxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl) 1,3-benzodioxole-5-carboxylate 2D Structure of (4,15-Diacetyloxy-14-hydroxy-11-methoxy-2,14,17-trimethyl-3-oxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl) 1,3-benzodioxole-5-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/f71143b0-8474-11ee-af6c-4997872f8108.jpg)
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 | 98.69% | 91.11% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 98.02% | 96.77% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 97.24% | 94.80% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.62% | 86.33% |
CHEMBL4208 | P20618 | Proteasome component C5 | 94.19% | 90.00% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 93.51% | 91.49% |
CHEMBL2581 | P07339 | Cathepsin D | 93.37% | 98.95% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 93.08% | 91.19% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.02% | 97.09% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.88% | 100.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.89% | 89.00% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.33% | 92.62% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.06% | 94.45% |
CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 87.28% | 96.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.07% | 96.09% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.02% | 99.23% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.84% | 95.89% |
CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.19% | 90.24% |
CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 81.93% | 83.00% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.91% | 97.28% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.59% | 97.14% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.38% | 91.07% |
CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 80.97% | 80.96% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.89% | 94.00% |
CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.41% | 94.42% |
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.
Picrasma javanica |
PubChem | 14542822 |
LOTUS | LTS0160946 |
wikiData | Q104920622 |