(2R)-1,2,3,4,6,7,8,8a-Octahydro-8alpha,8aalpha-dimethyl-alpha-methylene-6-oxo-2-naphthaleneacetic acid
Internal ID | b669ed6d-ad76-4d7b-bb91-13d9a0403ee5 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids |
IUPAC Name | 2-(8,8a-dimethyl-6-oxo-1,2,3,4,7,8-hexahydronaphthalen-2-yl)prop-2-enoic acid |
SMILES (Canonical) | CC1CC(=O)C=C2C1(CC(CC2)C(=C)C(=O)O)C |
SMILES (Isomeric) | CC1CC(=O)C=C2C1(CC(CC2)C(=C)C(=O)O)C |
InChI | InChI=1S/C15H20O3/c1-9-6-13(16)7-12-5-4-11(8-15(9,12)3)10(2)14(17)18/h7,9,11H,2,4-6,8H2,1,3H3,(H,17,18) |
InChI Key | GAWKUNMREBFQOL-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C15H20O3 |
Molecular Weight | 248.32 g/mol |
Exact Mass | 248.14124450 g/mol |
Topological Polar Surface Area (TPSA) | 54.40 Ų |
XlogP | 2.60 |
There are no found synonyms. |
![2D Structure of (2R)-1,2,3,4,6,7,8,8a-Octahydro-8alpha,8aalpha-dimethyl-alpha-methylene-6-oxo-2-naphthaleneacetic acid 2D Structure of (2R)-1,2,3,4,6,7,8,8a-Octahydro-8alpha,8aalpha-dimethyl-alpha-methylene-6-oxo-2-naphthaleneacetic acid](https://plantaedb.com/storage/docs/compounds/2023/11/157b0b10-861b-11ee-a9d9-1fe1debd6b17.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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.77% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.14% | 96.09% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 94.08% | 91.49% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.06% | 97.25% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.67% | 100.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.25% | 95.56% |
CHEMBL2581 | P07339 | Cathepsin D | 90.11% | 98.95% |
CHEMBL217 | P14416 | Dopamine D2 receptor | 87.14% | 95.62% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.11% | 91.19% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.53% | 90.17% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.97% | 99.23% |
CHEMBL1902 | P62942 | FK506-binding protein 1A | 82.97% | 97.05% |
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.
Laggera alata |
Pluchea sericea |
Stevia achalensis |
Tessaria absinthioides |
PubChem | 14527133 |
LOTUS | LTS0239094 |
wikiData | Q105005673 |