3-[(2R)-2-hydroxy-3-methylbut-3-enyl]-4-methoxy-5-(3-methylbut-2-enyl)benzoic acid
| Internal ID | e1ddc291-5071-4dc8-9497-6afa1467a0f5 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Methoxybenzoic acids and derivatives > P-methoxybenzoic acids and derivatives |
| IUPAC Name | 3-[(2R)-2-hydroxy-3-methylbut-3-enyl]-4-methoxy-5-(3-methylbut-2-enyl)benzoic acid |
| SMILES (Canonical) | CC(=CCC1=C(C(=CC(=C1)C(=O)O)CC(C(=C)C)O)OC)C |
| SMILES (Isomeric) | CC(=CCC1=C(C(=CC(=C1)C(=O)O)C[C@H](C(=C)C)O)OC)C |
| InChI | InChI=1S/C18H24O4/c1-11(2)6-7-13-8-15(18(20)21)9-14(17(13)22-5)10-16(19)12(3)4/h6,8-9,16,19H,3,7,10H2,1-2,4-5H3,(H,20,21)/t16-/m1/s1 |
| InChI Key | FTUGDVWDFYHJCZ-MRXNPFEDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H24O4 |
| Molecular Weight | 304.40 g/mol |
| Exact Mass | 304.16745924 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of 3-[(2R)-2-hydroxy-3-methylbut-3-enyl]-4-methoxy-5-(3-methylbut-2-enyl)benzoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/3-2r-2-hydroxy-3-methylbut-3-enyl-4-methoxy-5-3-methylbut-2-enylbenzoic-acid.jpg "2D Structure of 3-[(2R)-2-hydroxy-3-methylbut-3-enyl]-4-methoxy-5-(3-methylbut-2-enyl)benzoic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.36% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.57% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.89% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.66% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.94% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.57% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.21% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.82% | 96.95% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 87.76% | 90.20% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.25% | 85.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.07% | 91.19% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.96% | 94.73% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.61% | 97.21% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.54% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.06% | 98.75% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.86% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.98% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.87% | 90.00% |
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.
| Piper acutifolium |
| PubChem | 162955325 |
| LOTUS | LTS0222800 |
| wikiData | Q105001311 |