14,16-Dihydroxy-4,15-dimethoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,11-dione
Internal ID | bd7e02c0-d575-45dd-8117-40a18aebee63 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Quassinoids |
IUPAC Name | 14,16-dihydroxy-4,15-dimethoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,11-dione |
SMILES (Canonical) | CC12C(CC=C(C1=O)OC)CC3C4(C2C(C(C(C4CC(=O)O3)(C)O)OC)O)C |
SMILES (Isomeric) | CC12C(CC=C(C1=O)OC)CC3C4(C2C(C(C(C4CC(=O)O3)(C)O)OC)O)C |
InChI | InChI=1S/C21H30O7/c1-19-10(6-7-11(26-4)17(19)24)8-13-20(2)12(9-14(22)28-13)21(3,25)18(27-5)15(23)16(19)20/h7,10,12-13,15-16,18,23,25H,6,8-9H2,1-5H3 |
InChI Key | YTNUXZDLYRIWMT-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C21H30O7 |
Molecular Weight | 394.50 g/mol |
Exact Mass | 394.19915329 g/mol |
Topological Polar Surface Area (TPSA) | 102.00 Ų |
XlogP | 1.00 |
There are no found synonyms. |
![2D Structure of 14,16-Dihydroxy-4,15-dimethoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,11-dione 2D Structure of 14,16-Dihydroxy-4,15-dimethoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,11-dione](https://plantaedb.com/storage/docs/compounds/2023/11/9d856200-8615-11ee-b8f9-25789d7d6bfe.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 | 97.35% | 91.11% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.19% | 97.09% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.47% | 96.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.27% | 95.56% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.65% | 94.45% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.86% | 85.14% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.85% | 86.33% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.61% | 97.14% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.33% | 95.89% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.97% | 96.77% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.48% | 94.00% |
CHEMBL2535 | P11166 | Glucose transporter | 83.30% | 98.75% |
CHEMBL2581 | P07339 | Cathepsin D | 82.09% | 98.95% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.40% | 99.23% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.29% | 100.00% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.08% | 92.94% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 80.70% | 97.79% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.54% | 91.19% |
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 | 14890456 |
LOTUS | LTS0200011 |
wikiData | Q105361768 |