2-ethenyl-2,4b,8,8-tetramethyl-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthrene
Internal ID | dba63629-e28f-4fba-8291-9301170f1d5a |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
IUPAC Name | 2-ethenyl-2,4b,8,8-tetramethyl-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthrene |
SMILES (Canonical) | CC1(CCCC2(C1CC=C3C2CCC(C3)(C)C=C)C)C |
SMILES (Isomeric) | CC1(CCCC2(C1CC=C3C2CCC(C3)(C)C=C)C)C |
InChI | InChI=1S/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,8,16-17H,1,7,9-14H2,2-5H3 |
InChI Key | VCOVNILQQQZROK-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H32 |
Molecular Weight | 272.50 g/mol |
Exact Mass | 272.250401021 g/mol |
Topological Polar Surface Area (TPSA) | 0.00 Ų |
XlogP | 6.80 |
VCOVNILQQQZROK-UHFFFAOYSA-N |
![2D Structure of 2-ethenyl-2,4b,8,8-tetramethyl-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthrene 2D Structure of 2-ethenyl-2,4b,8,8-tetramethyl-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthrene](https://plantaedb.com/storage/docs/compounds/2023/11/2-ethenyl-24b88-tetramethyl-344a5678a9-octahydro-1h-phenanthrene.jpg)
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 |
---|---|---|---|---|
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.75% | 97.25% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.66% | 91.11% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.77% | 94.75% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.18% | 95.89% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.31% | 96.09% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.55% | 100.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.07% | 97.09% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.72% | 90.17% |
CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.95% | 91.03% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.30% | 82.69% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.01% | 94.45% |
CHEMBL5203 | P33316 | dUTP pyrophosphatase | 82.15% | 99.18% |
CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 80.82% | 100.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.74% | 95.56% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.72% | 92.94% |
CHEMBL2664 | P23526 | Adenosylhomocysteinase | 80.39% | 86.67% |
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.
Halocarpus bidwillii |
Larix gmelinii var. gmelinii |
Pinus brutia var. pityusa |
Pinus densiflora |
Pinus nigra subsp. pallasiana |
Pinus sylvestris var. hamata |
Prumnopitys andina |
Senecio subrubriflorus |
PubChem | 519328 |
LOTUS | LTS0080240 |
wikiData | Q104199228 |