(16R,17S,18R)-18-butoxy-10,10,16,17-tetramethyl-6-phenyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaen-4-one
| Internal ID | 0e07ee77-263b-4d65-b87b-8a563be6f68b |
| Taxonomy | Phenylpropanoids and polyketides > Neoflavonoids > Prenylated neoflavonoids |
| IUPAC Name | (16R,17S,18R)-18-butoxy-10,10,16,17-tetramethyl-6-phenyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H32O5/c1-6-7-15-31-25-17(2)18(3)32-26-20-13-14-29(4,5)34-27(20)23-21(19-11-9-8-10-12-19)16-22(30)33-28(23)24(25)26/h8-14,16-18,25H,6-7,15H2,1-5H3/t17-,18+,25+/m0/s1 |
| InChI Key | ZHFUOBRTYSARSE-YYULODDRSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C29H32O5 |
| Molecular Weight | 460.60 g/mol |
| Exact Mass | 460.22497412 g/mol |
| Topological Polar Surface Area (TPSA) | 54.00 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of (16R,17S,18R)-18-butoxy-10,10,16,17-tetramethyl-6-phenyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/b89cb5c0-85b6-11ee-9a95-37ea822e969d.jpg "2D Structure of (16R,17S,18R)-18-butoxy-10,10,16,17-tetramethyl-6-phenyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaen-4-one")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.48% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.87% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.81% | 86.33% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 95.37% | 93.31% |
| CHEMBL240 | Q12809 | HERG | 95.17% | 89.76% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.01% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.13% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.27% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.71% | 95.56% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 88.05% | 85.94% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.46% | 99.23% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 85.39% | 91.71% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.22% | 96.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.77% | 89.00% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 84.55% | 95.71% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 82.85% | 92.08% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.50% | 97.14% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.68% | 95.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.58% | 93.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.95% | 96.00% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 80.82% | 96.09% |
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.
| Calophyllum inophyllum |
| PubChem | 102052114 |
| LOTUS | LTS0078550 |
| wikiData | Q105375705 |