(4S,5S,10R,20S)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-hemiacetal
| Internal ID | 5d518566-89ca-44d5-ba6c-d3f2c05f026a |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (1R,10S,11S,14S)-11-methyl-5-propan-2-yl-13-oxatetracyclo[9.3.3.01,10.02,7]heptadeca-2,4,6-triene-4,14-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H28O3/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/h9-10,12,17-18,21-22H,4-8,11H2,1-3H3/t17-,18-,19+,20-/m0/s1 |
| InChI Key | QVGFDWPRYXYPGU-HAGHYFMRSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H28O3 |
| Molecular Weight | 316.40 g/mol |
| Exact Mass | 316.20384475 g/mol |
| Topological Polar Surface Area (TPSA) | 49.70 Ų |
| XlogP | 4.40 |
| (4S,5S,10R,20S)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-hemiacetal |
| (20S)-19,20-epoxyabieta-8,11,13-triene-12,20-diol |
| (1R,10S,11S,14S)-11-methyl-5-propan-2-yl-13-oxatetracyclo(9.3.3.01,10.02,7)heptadeca-2,4,6-triene-4,14-diol |
| (1R,10S,11S,14S)-11-methyl-5-propan-2-yl-13-oxatetracyclo[9.3.3.01,10.02,7]heptadeca-2,4,6-triene-4,14-diol |
| RefChem:69556 |
| CHEMBL1651068 |
| Q27138892 |
| 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 | 98.94% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.36% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 93.74% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.16% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.86% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.90% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.82% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.73% | 100.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.63% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.50% | 96.09% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 87.21% | 95.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.06% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.34% | 91.07% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.84% | 92.62% |
| CHEMBL4444 | P04070 | Vitamin K-dependent protein C | 85.62% | 93.89% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.65% | 96.38% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.15% | 96.77% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.90% | 90.24% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 82.68% | 99.18% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.55% | 93.56% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 81.14% | 98.10% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.55% | 93.99% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.27% | 93.18% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.15% | 93.40% |
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 | 50900509 |
| LOTUS | LTS0052656 |
| wikiData | Q27138892 |