1-(9-Hydroxypimar-15-en-19-yl) 3-methyl malonate
| Internal ID | ea56b803-8865-4dda-bcbb-c5207dfb3d5c |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives > Hydrophenanthrenes |
| IUPAC Name | 3-O-[(7-ethenyl-4b-hydroxy-1,4a,7-trimethyl-2,3,4,5,6,8,8a,9,10,10a-decahydrophenanthren-1-yl)methyl] 1-O-methyl propanedioate |
| SMILES (Canonical) | CC1(CCC2(C(C1)CCC3C2(CCCC3(C)COC(=O)CC(=O)OC)C)O)C=C |
| SMILES (Isomeric) | CC1(CCC2(C(C1)CCC3C2(CCCC3(C)COC(=O)CC(=O)OC)C)O)C=C |
| InChI | InChI=1S/C24H38O5/c1-6-21(2)12-13-24(27)17(15-21)8-9-18-22(3,10-7-11-23(18,24)4)16-29-20(26)14-19(25)28-5/h6,17-18,27H,1,7-16H2,2-5H3 |
| InChI Key | XDJJITKEIQBIQA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H38O5 |
| Molecular Weight | 406.60 g/mol |
| Exact Mass | 406.27192431 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 5.10 |
| O3-[(4b-hydroxy-1,4a,7-trimethyl-7-vinyl-2,3,4,5,6,8,8a,9,10,10a-decahydrophenanthren-1-yl)methyl] O1-methyl propanedioate |
| 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 | 96.83% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.68% | 96.09% |
| CHEMBL240 | Q12809 | HERG | 94.38% | 89.76% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 93.22% | 96.38% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.20% | 97.25% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.77% | 91.19% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 89.00% | 94.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 88.42% | 91.07% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.01% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.67% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.25% | 82.69% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 85.86% | 95.71% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.58% | 95.50% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 85.13% | 91.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.93% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.79% | 92.62% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.16% | 94.33% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.13% | 93.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 82.75% | 95.17% |
| CHEMBL1075317 | P61964 | WD repeat-containing protein 5 | 82.70% | 96.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.92% | 95.56% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.44% | 92.50% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 81.01% | 98.03% |
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.
| Calceolaria lepida |
| PubChem | 371618 |
| LOTUS | LTS0176208 |
| wikiData | Q105325752 |