(1S,4aR,4bS,7R,8aR,10aS)-7-ethenyl-8a-hydroxy-1,4a,7-trimethyl-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthrene-1-carbaldehyde
| Internal ID | 63b2ddac-6741-4f82-b985-29ea5c2f0816 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (1S,4aR,4bS,7R,8aR,10aS)-7-ethenyl-8a-hydroxy-1,4a,7-trimethyl-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthrene-1-carbaldehyde |
| SMILES (Canonical) | CC1(CCC2C3(CCCC(C3CCC2(C1)O)(C)C=O)C)C=C |
| SMILES (Isomeric) | C[C@]1(CC[C@H]2[C@@]3(CCC[C@]([C@H]3CC[C@]2(C1)O)(C)C=O)C)C=C |
| InChI | InChI=1S/C20H32O2/c1-5-17(2)11-7-16-19(4)10-6-9-18(3,14-21)15(19)8-12-20(16,22)13-17/h5,14-16,22H,1,6-13H2,2-4H3/t15-,16+,17-,18-,19-,20-/m1/s1 |
| InChI Key | ABCIEUDQNGOLIV-DNDRQTMDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32O2 |
| Molecular Weight | 304.50 g/mol |
| Exact Mass | 304.240230259 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
| 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 | 87.94% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.59% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.25% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.62% | 96.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.97% | 93.03% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.63% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.03% | 94.45% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.93% | 95.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.34% | 91.19% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.04% | 91.03% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 81.94% | 99.29% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.66% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.51% | 82.69% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.15% | 93.00% |
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.
| Tetraclinis articulata |
| PubChem | 162850775 |
| LOTUS | LTS0217681 |
| wikiData | Q104908525 |