(+)-(5S,6S,7R,10R)-6,7,12-trihydroxyabieta-8,11,13-trien-20-oic acid 6,20-lactone
| Internal ID | a6c35f57-e0ee-4f25-830c-029569399e6e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | (1R,8R,9S,10S)-4,8-dihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one |
| SMILES (Canonical) | CC(C)C1=C(C=C2C(=C1)C(C3C4C2(CCCC4(C)C)C(=O)O3)O)O |
| SMILES (Isomeric) | CC(C)C1=C(C=C2C(=C1)[C@H]([C@@H]3[C@@H]4[C@@]2(CCCC4(C)C)C(=O)O3)O)O |
| InChI | InChI=1S/C20H26O4/c1-10(2)11-8-12-13(9-14(11)21)20-7-5-6-19(3,4)17(20)16(15(12)22)24-18(20)23/h8-10,15-17,21-22H,5-7H2,1-4H3/t15-,16-,17+,20+/m1/s1 |
| InChI Key | WTPQRFSKUFBXKY-WWNBULGVSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H26O4 |
| Molecular Weight | 330.40 g/mol |
| Exact Mass | 330.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 3.80 |
| (+)-(5S,6S,7R,10R)-6,7,12-trihydroxyabieta-8,11,13-trien-20-oic acid 6,20-lactone |
| CHEMBL1651063 |
| Q27138886 |
| (6beta,7beta)-7,12-dihydroxy-6,20-epoxyabieta-8,11,13-trien-20-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.60% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.41% | 94.45% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.94% | 93.40% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 93.43% | 90.71% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.21% | 97.25% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.76% | 99.15% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.13% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.04% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.65% | 95.56% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.37% | 96.38% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.89% | 94.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.86% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.58% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.51% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.44% | 97.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.90% | 93.56% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 83.10% | 95.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.33% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.68% | 99.23% |
| CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 81.50% | 97.88% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.33% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.14% | 92.62% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.12% | 93.04% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.32% | 91.19% |
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.
| Fraxinus sieboldiana |
| PubChem | 50900505 |
| LOTUS | LTS0025208 |
| wikiData | Q27138886 |