5,13-Dihydroxy-6-(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadec-10-ene-13-carboxylic acid
| Internal ID | 3dca6e8b-4517-43a5-a873-7298a25eb040 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Aphidicolane and stemodane diterpenoids |
| IUPAC Name | 5,13-dihydroxy-6-(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadec-10-ene-13-carboxylic acid |
| SMILES (Canonical) | CC12CCC(C(C1CCC3=CC4CC23CCC4(C(=O)O)O)(C)CO)O |
| SMILES (Isomeric) | CC12CCC(C(C1CCC3=CC4CC23CCC4(C(=O)O)O)(C)CO)O |
| InChI | InChI=1S/C20H30O5/c1-17(11-21)14-4-3-12-9-13-10-19(12,7-8-20(13,25)16(23)24)18(14,2)6-5-15(17)22/h9,13-15,21-22,25H,3-8,10-11H2,1-2H3,(H,23,24) |
| InChI Key | CRKXFQVLMHNMQV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O5 |
| Molecular Weight | 350.40 g/mol |
| Exact Mass | 350.20932405 g/mol |
| Topological Polar Surface Area (TPSA) | 98.00 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of 5,13-Dihydroxy-6-(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadec-10-ene-13-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/69b00cf0-8595-11ee-ab0a-1543eb354eab.jpg "2D Structure of 5,13-Dihydroxy-6-(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadec-10-ene-13-carboxylic acid")
| 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 | 93.66% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.88% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.51% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.04% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.43% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.01% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.48% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.20% | 95.89% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.20% | 95.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.58% | 94.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.01% | 97.09% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.74% | 93.04% |
| CHEMBL5028 | O14672 | ADAM10 | 80.18% | 97.50% |
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.
| There are no matching plants. |
| PubChem | 162814151 |
| LOTUS | LTS0107955 |
| wikiData | Q103817976 |