11,18-Dihydroxy-9-methoxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecan-2-one
| Internal ID | fdf8ac42-8326-4fff-9ae1-ddb2f2d6f72a |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | 11,18-dihydroxy-9-methoxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecan-2-one |
| SMILES (Canonical) | CC1(CCC2C3(C1C(OC3O)OC)C4CCC5CC4(C(C5=C)O)C(=O)O2)C |
| SMILES (Isomeric) | CC1(CCC2C3(C1C(OC3O)OC)C4CCC5CC4(C(C5=C)O)C(=O)O2)C |
| InChI | InChI=1S/C21H30O6/c1-10-11-5-6-12-20(9-11,15(10)22)17(23)26-13-7-8-19(2,3)14-16(25-4)27-18(24)21(12,13)14/h11-16,18,22,24H,1,5-9H2,2-4H3 |
| InChI Key | AQHYMJMGCVYSDX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H30O6 |
| Molecular Weight | 378.50 g/mol |
| Exact Mass | 378.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of 11,18-Dihydroxy-9-methoxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/9f6aee80-8596-11ee-8b00-7ba159870f97.jpg "2D Structure of 11,18-Dihydroxy-9-methoxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecan-2-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.60% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.18% | 91.11% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 89.18% | 97.14% |
| CHEMBL204 | P00734 | Thrombin | 88.42% | 96.01% |
| CHEMBL1871 | P10275 | Androgen Receptor | 87.86% | 96.43% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.59% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.22% | 95.89% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 87.19% | 96.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.90% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.24% | 94.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.84% | 94.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.98% | 92.94% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 82.97% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.50% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.04% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.65% | 92.62% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.03% | 92.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.85% | 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.
| Isodon serra |
| PubChem | 163011959 |
| LOTUS | LTS0083565 |
| wikiData | Q104916851 |