1,16-Dihydroxy-8,8,13-trimethyl-17-methylidene-16-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-7-oxatetracyclo[10.7.0.03,9.013,18]nonadeca-2,4-dien-6-one
| Internal ID | 7d41dc30-29b9-4f49-a8e0-569a9ed96db8 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | 1,16-dihydroxy-8,8,13-trimethyl-17-methylidene-16-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-7-oxatetracyclo[10.7.0.03,9.013,18]nonadeca-2,4-dien-6-one |
| SMILES (Canonical) | CC1=CCC(OC1=O)C(C)C2(CCC3(C4CCC5C(=CC4(CC3C2=C)O)C=CC(=O)OC5(C)C)C)O |
| SMILES (Isomeric) | CC1=CCC(OC1=O)C(C)C2(CCC3(C4CCC5C(=CC4(CC3C2=C)O)C=CC(=O)OC5(C)C)C)O |
| InChI | InChI=1S/C30H40O6/c1-17-7-10-23(35-26(17)32)19(3)30(34)14-13-28(6)22(18(30)2)16-29(33)15-20-8-12-25(31)36-27(4,5)21(20)9-11-24(28)29/h7-8,12,15,19,21-24,33-34H,2,9-11,13-14,16H2,1,3-6H3 |
| InChI Key | ORWYYJLUJLOTPL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H40O6 |
| Molecular Weight | 496.60 g/mol |
| Exact Mass | 496.28248899 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of 1,16-Dihydroxy-8,8,13-trimethyl-17-methylidene-16-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-7-oxatetracyclo[10.7.0.03,9.013,18]nonadeca-2,4-dien-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/12920810-86f9-11ee-9bd8-31404a74f6ac.jpg "2D Structure of 1,16-Dihydroxy-8,8,13-trimethyl-17-methylidene-16-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-7-oxatetracyclo[10.7.0.03,9.013,18]nonadeca-2,4-dien-6-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.39% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.74% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.74% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.51% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.48% | 94.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.14% | 94.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.77% | 93.56% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 88.30% | 85.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.36% | 95.89% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.79% | 94.80% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.75% | 96.38% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.07% | 95.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.70% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.67% | 97.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.93% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.09% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.94% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.26% | 93.00% |
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.
| Kadsura coccinea |
| PubChem | 73043974 |
| LOTUS | LTS0138602 |
| wikiData | Q105198520 |