8b,17-Epoxy-12E-labdene-15,16-dial
| Internal ID | c3b45e70-bf94-49ed-b8f2-cb6c8ef9952f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (2E)-2-[2-(5,5,8a-trimethylspiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,2'-oxirane]-1-yl)ethylidene]butanedial |
| SMILES (Canonical) | CC1(CCCC2(C1CCC3(C2CC=C(CC=O)C=O)CO3)C)C |
| SMILES (Isomeric) | CC1(CCCC2(C1CCC3(C2C/C=C(\CC=O)/C=O)CO3)C)C |
| InChI | InChI=1S/C20H30O3/c1-18(2)9-4-10-19(3)16(18)7-11-20(14-23-20)17(19)6-5-15(13-22)8-12-21/h5,12-13,16-17H,4,6-11,14H2,1-3H3/b15-5+ |
| InChI Key | ZAWCPGMKVKTLKI-PJQLUOCWSA-N |
| Popularity | 10 references in papers |
| Molecular Formula | C20H30O3 |
| Molecular Weight | 318.40 g/mol |
| Exact Mass | 318.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 46.70 Ų |
| XlogP | 3.60 |
| 8beta,17-Epoxyl-12E-labdene-15,16-dial |
| 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 | 97.31% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.31% | 91.11% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.45% | 82.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.26% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.20% | 96.09% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 87.86% | 95.50% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 85.85% | 97.47% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.83% | 97.09% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 85.74% | 99.18% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 84.56% | 100.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.36% | 95.93% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.19% | 94.75% |
| CHEMBL233 | P35372 | Mu opioid receptor | 83.71% | 97.93% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.60% | 92.94% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.46% | 93.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.19% | 95.56% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.95% | 98.75% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.49% | 91.24% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.48% | 89.34% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.38% | 94.45% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 80.11% | 99.29% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 80.03% | 89.05% |
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.
| Aframomum aulacocarpos |
| Aframomum sulcatum |
| Zingiber mioga |
| Zingiber officinale |
| PubChem | 131752056 |
| LOTUS | LTS0141156 |
| wikiData | Q104402973 |