[(1R,2S,6R,10S,11R,13S,15R)-8-formyl-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] acetate
Internal ID | 18852ae9-e537-47ee-ae0b-6d22a35aa411 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Tigliane and ingenane diterpenoids > Phorbol esters |
IUPAC Name | [(1R,2S,6R,10S,11R,13S,15R)-8-formyl-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] acetate |
SMILES (Canonical) | CC1CC2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)C=O)O)C)O)OC(=O)C |
SMILES (Isomeric) | C[C@@H]1C[C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)C=O)O)C)O)OC(=O)C |
InChI | InChI=1S/C22H28O6/c1-11-6-16-20(26,18(11)25)9-14(10-23)7-15-17-19(4,5)21(17,28-13(3)24)8-12(2)22(15,16)27/h6-7,10,12,15-17,26-27H,8-9H2,1-5H3/t12-,15+,16-,17-,20-,21+,22-/m1/s1 |
InChI Key | RBAKUBXTGCEYKA-HXGSDTCMSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C22H28O6 |
Molecular Weight | 388.50 g/mol |
Exact Mass | 388.18858861 g/mol |
Topological Polar Surface Area (TPSA) | 101.00 Ų |
XlogP | 1.20 |
There are no found synonyms. |
![2D Structure of [(1R,2S,6R,10S,11R,13S,15R)-8-formyl-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] acetate 2D Structure of [(1R,2S,6R,10S,11R,13S,15R)-8-formyl-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/d272e510-853f-11ee-bd43-e74e07bca4f5.jpg)
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 | 92.94% | 96.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.41% | 95.56% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.32% | 91.11% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.88% | 94.45% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.01% | 86.33% |
CHEMBL2581 | P07339 | Cathepsin D | 85.64% | 98.95% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.70% | 93.00% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.49% | 94.75% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.23% | 100.00% |
CHEMBL4208 | P20618 | Proteasome component C5 | 83.58% | 90.00% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.45% | 99.23% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.24% | 97.25% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.87% | 89.00% |
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.
Euphorbia fischeri |
PubChem | 11523922 |
LOTUS | LTS0236735 |
wikiData | Q105232998 |