15-Hydroxydehydroabietic acid, methyl ester
| Internal ID | 4d4425aa-2111-4db4-949e-158f21ea6651 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | methyl 7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate |
| SMILES (Canonical) | CC12CCCC(C1CCC3=C2C=CC(=C3)C(C)(C)O)(C)C(=O)OC |
| SMILES (Isomeric) | CC12CCCC(C1CCC3=C2C=CC(=C3)C(C)(C)O)(C)C(=O)OC |
| InChI | InChI=1S/C21H30O3/c1-19(2,23)15-8-9-16-14(13-15)7-10-17-20(16,3)11-6-12-21(17,4)18(22)24-5/h8-9,13,17,23H,6-7,10-12H2,1-5H3 |
| InChI Key | IGUDTNVZIOWVIV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H30O3 |
| Molecular Weight | 330.50 g/mol |
| Exact Mass | 330.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 4.50 |
| IGUDTNVZIOWVIV-UHFFFAOYSA-N |
| Methyl 15-hydroxyabieta-9(11),8(14),12-trien-18-oate # |
| 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 | 98.62% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.30% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.26% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.84% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.45% | 83.82% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.60% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.05% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.84% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.29% | 86.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.27% | 91.07% |
| CHEMBL233 | P35372 | Mu opioid receptor | 82.94% | 97.93% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.80% | 91.19% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.20% | 91.03% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.64% | 82.69% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.94% | 92.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.84% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 80.74% | 97.50% |
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.
| Picea abies |
| Pinus brutia var. pityusa |
| Pinus densiflora |
| Pinus sylvestris var. hamata |
| Pluchea dioscoridis |
| Pseudotsuga sinensis var. sinensis |
| PubChem | 628860 |
| LOTUS | LTS0175503 |
| wikiData | Q104921597 |