1,11-Dihydroxy-9,9,14-trimethyl-18-methylidene-17-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-3,8-dioxapentacyclo[11.7.0.02,4.04,10.014,19]icosa-5,16-dien-7-one
| Internal ID | 55d26a2b-0f38-4982-b7dc-2d36700f97d3 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | 1,11-dihydroxy-9,9,14-trimethyl-18-methylidene-17-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-3,8-dioxapentacyclo[11.7.0.02,4.04,10.014,19]icosa-5,16-dien-7-one |
| SMILES (Canonical) | CC1=CCC(OC1=O)C(C)C2=CCC3(C4CC(C5C(OC(=O)C=CC56C(C4(CC3C2=C)O)O6)(C)C)O)C |
| SMILES (Isomeric) | CC1=CCC(OC1=O)C(C)C2=CCC3(C4CC(C5C(OC(=O)C=CC56C(C4(CC3C2=C)O)O6)(C)C)O)C |
| InChI | InChI=1S/C30H38O7/c1-15-7-8-21(35-25(15)33)17(3)18-9-11-28(6)19(16(18)2)14-29(34)22(28)13-20(31)24-27(4,5)36-23(32)10-12-30(24)26(29)37-30/h7,9-10,12,17,19-22,24,26,31,34H,2,8,11,13-14H2,1,3-6H3 |
| InChI Key | COACAZUXJVRXJK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H38O7 |
| Molecular Weight | 510.60 g/mol |
| Exact Mass | 510.26175355 g/mol |
| Topological Polar Surface Area (TPSA) | 106.00 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of 1,11-Dihydroxy-9,9,14-trimethyl-18-methylidene-17-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-3,8-dioxapentacyclo[11.7.0.02,4.04,10.014,19]icosa-5,16-dien-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/42faa1c0-85b9-11ee-8b1d-397140dd4ae9.jpg "2D Structure of 1,11-Dihydroxy-9,9,14-trimethyl-18-methylidene-17-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-3,8-dioxapentacyclo[11.7.0.02,4.04,10.014,19]icosa-5,16-dien-7-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.80% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.01% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.80% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.54% | 90.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.10% | 91.49% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.92% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.77% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.68% | 94.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.43% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.58% | 97.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.39% | 93.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.76% | 94.45% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.11% | 97.14% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.86% | 91.07% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.23% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.10% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.74% | 94.73% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.66% | 93.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.53% | 100.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.73% | 95.50% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.38% | 100.00% |
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 | 72987035 |
| LOTUS | LTS0161540 |
| wikiData | Q105148043 |