(E)-5-[(1S,2R,4aR,8aS)-1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methylpent-2-enoic acid
Internal ID | d9b75257-231f-48d8-8529-3e6bb48a039e |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Colensane and clerodane diterpenoids |
IUPAC Name | (E)-5-[(1S,2R,4aR,8aS)-1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methylpent-2-enoic acid |
SMILES (Canonical) | CC1CCC2(C(C1(C)CCC(=CC(=O)O)C)CC(=O)C=C2C)C |
SMILES (Isomeric) | C[C@@H]1CC[C@@]2([C@H]([C@@]1(C)CC/C(=C/C(=O)O)/C)CC(=O)C=C2C)C |
InChI | InChI=1S/C20H30O3/c1-13(10-18(22)23)6-8-19(4)14(2)7-9-20(5)15(3)11-16(21)12-17(19)20/h10-11,14,17H,6-9,12H2,1-5H3,(H,22,23)/b13-10+/t14-,17+,19+,20+/m1/s1 |
InChI Key | SLMFLTPPPXRYHP-BENRCLHBSA-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) | 54.40 Ų |
XlogP | 4.80 |
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 | 96.44% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 92.20% | 98.95% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.46% | 95.56% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.90% | 96.09% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.80% | 100.00% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.66% | 97.25% |
CHEMBL1902 | P62942 | FK506-binding protein 1A | 84.67% | 97.05% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.36% | 83.82% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.98% | 89.00% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.60% | 94.80% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.48% | 93.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.00% | 86.33% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.08% | 94.45% |
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.
Eperua purpurea |
PubChem | 10870865 |
LOTUS | LTS0185435 |
wikiData | Q105255418 |