(4-Benzoyloxy-15-methoxy-2,6,14,17-tetramethyl-3,11-dioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl) 1,3-benzodioxole-5-carboxylate
Internal ID | cf1027df-99a9-4cd0-8a3d-8992a1c13b67 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Quassinoids |
IUPAC Name | (4-benzoyloxy-15-methoxy-2,6,14,17-tetramethyl-3,11-dioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl) 1,3-benzodioxole-5-carboxylate |
SMILES (Canonical) | CC1CC(C(=O)C2(C1CC3C4(C2C(C(C(C4CC(=O)O3)C)OC)OC(=O)C5=CC6=C(C=C5)OCO6)C)C)OC(=O)C7=CC=CC=C7 |
SMILES (Isomeric) | CC1CC(C(=O)C2(C1CC3C4(C2C(C(C(C4CC(=O)O3)C)OC)OC(=O)C5=CC6=C(C=C5)OCO6)C)C)OC(=O)C7=CC=CC=C7 |
InChI | InChI=1S/C36H40O10/c1-18-13-26(44-33(39)20-9-7-6-8-10-20)32(38)36(4)22(18)15-27-35(3)23(16-28(37)45-27)19(2)29(41-5)30(31(35)36)46-34(40)21-11-12-24-25(14-21)43-17-42-24/h6-12,14,18-19,22-23,26-27,29-31H,13,15-17H2,1-5H3 |
InChI Key | MNARXIYERMBYAA-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C36H40O10 |
Molecular Weight | 632.70 g/mol |
Exact Mass | 632.26214747 g/mol |
Topological Polar Surface Area (TPSA) | 124.00 Ų |
XlogP | 6.00 |
There are no found synonyms. |
![2D Structure of (4-Benzoyloxy-15-methoxy-2,6,14,17-tetramethyl-3,11-dioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl) 1,3-benzodioxole-5-carboxylate 2D Structure of (4-Benzoyloxy-15-methoxy-2,6,14,17-tetramethyl-3,11-dioxo-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/a149b9e0-85f2-11ee-afdc-917aa4cf94fc.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 |
---|---|---|---|---|
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 98.36% | 86.33% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 98.18% | 91.49% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.77% | 91.11% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 96.32% | 94.80% |
CHEMBL240 | Q12809 | HERG | 96.15% | 89.76% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.11% | 85.14% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.75% | 95.56% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.39% | 99.23% |
CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 91.48% | 83.00% |
CHEMBL2581 | P07339 | Cathepsin D | 90.55% | 98.95% |
CHEMBL2039 | P27338 | Monoamine oxidase B | 90.16% | 92.51% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.15% | 89.00% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.87% | 91.19% |
CHEMBL4208 | P20618 | Proteasome component C5 | 86.36% | 90.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.01% | 99.17% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.62% | 96.09% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.60% | 97.09% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.06% | 97.14% |
CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 84.52% | 82.38% |
CHEMBL5028 | O14672 | ADAM10 | 82.67% | 97.50% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.52% | 92.62% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.31% | 95.50% |
CHEMBL2535 | P11166 | Glucose transporter | 81.99% | 98.75% |
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 | 162912967 |
LOTUS | LTS0261484 |
wikiData | Q105168236 |