Aphidicolin A66
| Internal ID | 16f41f1f-aff3-471f-bf73-bd1a5f68880d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Aphidicolane and stemodane diterpenoids |
| IUPAC Name | (1R,2S,6S,7S,11R,12S,13R)-11,13-dihydroxy-13-(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadec-9-en-5-one |
| SMILES (Canonical) | CC1C2CC=C3C(C4CC3(C2(CCC1=O)C)CCC4(CO)O)O |
| SMILES (Isomeric) | C[C@H]1[C@@H]2CC=C3[C@@H]([C@@H]4C[C@@]3([C@]2(CCC1=O)C)CC[C@@]4(CO)O)O |
| InChI | InChI=1S/C19H28O4/c1-11-12-3-4-13-16(22)14-9-18(13,7-8-19(14,23)10-20)17(12,2)6-5-15(11)21/h4,11-12,14,16,20,22-23H,3,5-10H2,1-2H3/t11-,12-,14-,16-,17-,18-,19-/m0/s1 |
| InChI Key | LNZYJSLTBFBUBA-OQCIHVHGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H28O4 |
| Molecular Weight | 320.40 g/mol |
| Exact Mass | 320.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 0.60 |
| There are no found synonyms. |
| 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 | 95.99% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.27% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 94.87% | 95.93% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.54% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.76% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.59% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.93% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.55% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.50% | 86.33% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.68% | 83.82% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.47% | 96.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.17% | 96.77% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.64% | 90.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.44% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.07% | 90.00% |
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.
| There are no matching plants. |
| PubChem | 145721159 |
| LOTUS | LTS0134747 |
| wikiData | Q105154597 |