7-(3,4-Dihydroxybenzoyl)-10,10-dimethyl-9,11-bis(3-methylbut-2-enyl)-4-(2-methylprop-1-enyl)-3-prop-1-en-2-yl-5-oxatricyclo[7.3.1.01,6]tridec-6-ene-8,13-dione
| Internal ID | 2bb0243e-3959-44fc-9b0d-2e0584335e8d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Aromatic monoterpenoids |
| IUPAC Name | 7-(3,4-dihydroxybenzoyl)-10,10-dimethyl-9,11-bis(3-methylbut-2-enyl)-4-(2-methylprop-1-enyl)-3-prop-1-en-2-yl-5-oxatricyclo[7.3.1.01,6]tridec-6-ene-8,13-dione |
| SMILES (Canonical) | CC(=CCC1CC23CC(C(OC2=C(C(=O)C(C3=O)(C1(C)C)CC=C(C)C)C(=O)C4=CC(=C(C=C4)O)O)C=C(C)C)C(=C)C)C |
| SMILES (Isomeric) | CC(=CCC1CC23CC(C(OC2=C(C(=O)C(C3=O)(C1(C)C)CC=C(C)C)C(=O)C4=CC(=C(C=C4)O)O)C=C(C)C)C(=C)C)C |
| InChI | InChI=1S/C38H48O6/c1-21(2)11-13-26-19-37-20-27(24(7)8)30(17-23(5)6)44-34(37)31(32(41)25-12-14-28(39)29(40)18-25)33(42)38(35(37)43,36(26,9)10)16-15-22(3)4/h11-12,14-15,17-18,26-27,30,39-40H,7,13,16,19-20H2,1-6,8-10H3 |
| InChI Key | AFHKVDYTQYGRHC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C38H48O6 |
| Molecular Weight | 600.80 g/mol |
| Exact Mass | 600.34508925 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 9.10 |
| There are no found synonyms. |
![2D Structure of 7-(3,4-Dihydroxybenzoyl)-10,10-dimethyl-9,11-bis(3-methylbut-2-enyl)-4-(2-methylprop-1-enyl)-3-prop-1-en-2-yl-5-oxatricyclo[7.3.1.01,6]tridec-6-ene-8,13-dione](https://plantaedb.com/storage/docs/compounds/2023/11/fab10890-8350-11ee-97fa-89b0eaadeeb4.jpg "2D Structure of 7-(3,4-Dihydroxybenzoyl)-10,10-dimethyl-9,11-bis(3-methylbut-2-enyl)-4-(2-methylprop-1-enyl)-3-prop-1-en-2-yl-5-oxatricyclo[7.3.1.01,6]tridec-6-ene-8,13-dione")
| 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 | 99.13% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.62% | 91.49% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.84% | 93.40% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.61% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.10% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.73% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.31% | 94.73% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.71% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.04% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.51% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.74% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.53% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.50% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.50% | 96.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.40% | 91.19% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.01% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.79% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.26% | 99.17% |
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.
| Garcinia cowa |
| Garcinia subelliptica |
| PubChem | 75165904 |
| LOTUS | LTS0039132 |
| wikiData | Q104911226 |