(1S,2S,5R,6R,7R,10S,12R,13R,16S)-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecane-5,13,16-triol
| Internal ID | daaa7976-2473-46ca-8ea1-44bb51fad5bc |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Aphidicolane and stemodane diterpenoids |
| IUPAC Name | (1S,2S,5R,6R,7R,10S,12R,13R,16S)-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecane-5,13,16-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H34O5/c1-17(10-21)14-4-3-12-9-13-16(24)20(12,8-7-19(13,25)11-22)18(14,2)6-5-15(17)23/h12-16,21-25H,3-11H2,1-2H3/t12-,13+,14-,15+,16-,17-,18-,19-,20+/m0/s1 |
| InChI Key | GIQDPUUXQYRZEP-MJHHDRMESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H34O5 |
| Molecular Weight | 354.50 g/mol |
| Exact Mass | 354.24062418 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of (1S,2S,5R,6R,7R,10S,12R,13R,16S)-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecane-5,13,16-triol](https://plantaedb.com/storage/docs/compounds/2023/11/a04ac210-83c3-11ee-b505-e71c89f1d6fc.jpg "2D Structure of (1S,2S,5R,6R,7R,10S,12R,13R,16S)-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecane-5,13,16-triol")
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.96% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.76% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.56% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.48% | 97.25% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 91.84% | 97.79% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 91.13% | 92.86% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.11% | 82.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.78% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.46% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.28% | 96.95% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.29% | 95.50% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 83.98% | 89.05% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.69% | 95.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.50% | 95.89% |
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.
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| There are no matching plants. |
| PubChem | 15677841 |
| LOTUS | LTS0134652 |
| wikiData | Q105009135 |