(-)-(4S,5S,10R)-12,18-dihydroxyabieta-8,11,13-trien-20-oic acid-18,20-lactone
| Internal ID | 7294b1ad-e9ba-4c0c-97cd-67bdd608e611 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | (1R,10S,11S)-4-hydroxy-11-methyl-5-propan-2-yl-13-oxatetracyclo[9.3.3.01,10.02,7]heptadeca-2,4,6-trien-14-one |
| SMILES (Canonical) | CC(C)C1=C(C=C2C(=C1)CCC3C24CCCC3(COC4=O)C)O |
| SMILES (Isomeric) | CC(C)C1=C(C=C2C(=C1)CC[C@@H]3[C@]24CCC[C@@]3(COC4=O)C)O |
| InChI | InChI=1S/C20H26O3/c1-12(2)14-9-13-5-6-17-19(3)7-4-8-20(17,18(22)23-11-19)15(13)10-16(14)21/h9-10,12,17,21H,4-8,11H2,1-3H3/t17-,19+,20-/m0/s1 |
| InChI Key | KNTYFIJHKBRRFL-SXLOBPIMSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H26O3 |
| Molecular Weight | 314.40 g/mol |
| Exact Mass | 314.18819469 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 4.60 |
| (-)-(4S,5S,10R)-12,18-dihydroxyabieta-8,11,13-trien-20-oic acid-18,20-lactone |
| CHEMBL1651062 |
| Q27138885 |
| 12-hydroxy-19,20-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 | 99.15% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.40% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.80% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.36% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.77% | 93.40% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.38% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.97% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.45% | 90.71% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 90.04% | 96.21% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.81% | 96.38% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.30% | 99.15% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.05% | 100.00% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 88.75% | 96.76% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 88.23% | 93.04% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.20% | 93.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.38% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.29% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.22% | 82.69% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.90% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.85% | 97.09% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.56% | 96.47% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.13% | 89.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.51% | 92.62% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.11% | 98.75% |
| CHEMBL4444 | P04070 | Vitamin K-dependent protein C | 82.47% | 93.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.70% | 97.25% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.93% | 95.71% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.91% | 93.18% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.66% | 90.24% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 80.27% | 83.57% |
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 | 50900416 |
| LOTUS | LTS0215189 |
| wikiData | Q27138885 |