3-[2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-2-hydroxyethyl]-2H-furan-5-one
Internal ID | 5cb46276-0a76-4922-b3d9-a32d63324222 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
IUPAC Name | 3-[2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-2-hydroxyethyl]-2H-furan-5-one |
SMILES (Canonical) | CC1(CCCC2(C1CCC(=C)C2C(CC3=CC(=O)OC3)O)C)C |
SMILES (Isomeric) | C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2C(CC3=CC(=O)OC3)O)(C)C |
InChI | InChI=1S/C20H30O3/c1-13-6-7-16-19(2,3)8-5-9-20(16,4)18(13)15(21)10-14-11-17(22)23-12-14/h11,15-16,18,21H,1,5-10,12H2,2-4H3/t15?,16-,18+,20-/m0/s1 |
InChI Key | LASHAKYHWZTYLP-WUXSCTBWSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H30O3 |
Molecular Weight | 318.40 g/mol |
Exact Mass | 318.21949481 g/mol |
Topological Polar Surface Area (TPSA) | 46.50 Ų |
XlogP | 4.00 |
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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.47% | 91.11% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.93% | 97.25% |
CHEMBL2581 | P07339 | Cathepsin D | 95.35% | 98.95% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.47% | 100.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.82% | 95.56% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.87% | 85.14% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.29% | 97.09% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.10% | 82.69% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.97% | 94.45% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.59% | 96.09% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.47% | 95.89% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.23% | 99.23% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.98% | 93.04% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.69% | 92.62% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.54% | 89.00% |
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.
Alpinia calcarata |
PubChem | 10615529 |
LOTUS | LTS0190190 |
wikiData | Q105148902 |