5-(2-formyl-1,4,5,7a-tetramethyl-3a,5,6,7-tetrahydro-3H-inden-4-yl)-3-methylpent-2-enoic acid
Internal ID | c049ba58-4b7f-4977-94a1-ce3e5c3c5048 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Iridoids and derivatives |
IUPAC Name | 5-(2-formyl-1,4,5,7a-tetramethyl-3a,5,6,7-tetrahydro-3H-inden-4-yl)-3-methylpent-2-enoic acid |
SMILES (Canonical) | CC1CCC2(C(C1(C)CCC(=CC(=O)O)C)CC(=C2C)C=O)C |
SMILES (Isomeric) | CC1CCC2(C(C1(C)CCC(=CC(=O)O)C)CC(=C2C)C=O)C |
InChI | InChI=1S/C20H30O3/c1-13(10-18(22)23)6-8-19(4)14(2)7-9-20(5)15(3)16(12-21)11-17(19)20/h10,12,14,17H,6-9,11H2,1-5H3,(H,22,23) |
InChI Key | JIKPDGHCTOSDJA-UHFFFAOYSA-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. |
![2D Structure of 5-(2-formyl-1,4,5,7a-tetramethyl-3a,5,6,7-tetrahydro-3H-inden-4-yl)-3-methylpent-2-enoic acid 2D Structure of 5-(2-formyl-1,4,5,7a-tetramethyl-3a,5,6,7-tetrahydro-3H-inden-4-yl)-3-methylpent-2-enoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/5-2-formyl-1457a-tetramethyl-3a567-tetrahydro-3h-inden-4-yl-3-methylpent-2-enoic-acid.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 |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.80% | 96.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.56% | 95.56% |
CHEMBL2581 | P07339 | Cathepsin D | 85.91% | 98.95% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.61% | 91.11% |
CHEMBL233 | P35372 | Mu opioid receptor | 83.52% | 97.93% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.42% | 97.25% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.42% | 100.00% |
CHEMBL2061 | P19793 | Retinoid X receptor alpha | 81.13% | 91.67% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.39% | 95.50% |
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.
Solidago altissima |
PubChem | 163035499 |
LOTUS | LTS0124237 |
wikiData | Q105129147 |