16-Hydroxy-4,11,15-trimethoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-3-one
Internal ID | f8fe9c0a-b28b-4967-802b-f7ac66ce15c6 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Quassinoids |
IUPAC Name | 16-hydroxy-4,11,15-trimethoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-3-one |
SMILES (Canonical) | CC1C2CC(OC3C2(C(C(C1OC)O)C4(C(C3)CC=C(C4=O)OC)C)C)OC |
SMILES (Isomeric) | CC1C2CC(OC3C2(C(C(C1OC)O)C4(C(C3)CC=C(C4=O)OC)C)C)OC |
InChI | InChI=1S/C22H34O6/c1-11-13-10-16(26-5)28-15-9-12-7-8-14(25-4)20(24)21(12,2)19(22(13,15)3)17(23)18(11)27-6/h8,11-13,15-19,23H,7,9-10H2,1-6H3 |
InChI Key | CZPPWWCZDGUODM-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C22H34O6 |
Molecular Weight | 394.50 g/mol |
Exact Mass | 394.23553880 g/mol |
Topological Polar Surface Area (TPSA) | 74.20 Ų |
XlogP | 2.60 |
There are no found synonyms. |
![2D Structure of 16-Hydroxy-4,11,15-trimethoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-3-one 2D Structure of 16-Hydroxy-4,11,15-trimethoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/d31876d0-8643-11ee-9124-112e36f84d62.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 | 96.94% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.43% | 96.09% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.96% | 97.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.32% | 86.33% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.54% | 95.56% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.98% | 94.00% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.34% | 97.14% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.23% | 99.23% |
CHEMBL4208 | P20618 | Proteasome component C5 | 85.02% | 90.00% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.20% | 100.00% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.41% | 85.14% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.55% | 94.45% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.52% | 96.77% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.17% | 95.89% |
CHEMBL1871 | P10275 | Androgen Receptor | 81.12% | 96.43% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.88% | 89.00% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.48% | 91.07% |
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 | 14887767 |
LOTUS | LTS0114066 |
wikiData | Q104972966 |