(Z)-4-[(1R,2R,7R,16S,18S)-11-hydroxy-10-[(2S)-2-hydroxy-3-methylbut-3-enyl]-16-methoxy-6,6,7,20,20-pentamethyl-13,17-dioxo-3,8,19-trioxahexacyclo[14.4.1.02,14.02,18.04,12.05,9]henicosa-4(12),5(9),10,14-tetraen-18-yl]-2-methylbut-2-enoic acid
| Internal ID | 6715ef94-134f-4017-abbe-e97de48cf1d3 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | (Z)-4-[(1R,2R,7R,16S,18S)-11-hydroxy-10-[(2S)-2-hydroxy-3-methylbut-3-enyl]-16-methoxy-6,6,7,20,20-pentamethyl-13,17-dioxo-3,8,19-trioxahexacyclo[14.4.1.02,14.02,18.04,12.05,9]henicosa-4(12),5(9),10,14-tetraen-18-yl]-2-methylbut-2-enoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H40O10/c1-15(2)20(35)12-18-24(36)22-25(37)19-13-32(41-9)14-21-31(7,8)44-33(29(32)40,11-10-16(3)28(38)39)34(19,21)43-27(22)23-26(18)42-17(4)30(23,5)6/h10,13,17,20-21,35-36H,1,11-12,14H2,2-9H3,(H,38,39)/b16-10-/t17-,20+,21-,32-,33-,34+/m1/s1 |
| InChI Key | HNSYUDVBSKCUEM-ZLQYVBNTSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C34H40O10 |
| Molecular Weight | 608.70 g/mol |
| Exact Mass | 608.26214747 g/mol |
| Topological Polar Surface Area (TPSA) | 149.00 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of (Z)-4-[(1R,2R,7R,16S,18S)-11-hydroxy-10-[(2S)-2-hydroxy-3-methylbut-3-enyl]-16-methoxy-6,6,7,20,20-pentamethyl-13,17-dioxo-3,8,19-trioxahexacyclo[14.4.1.02,14.02,18.04,12.05,9]henicosa-4(12),5(9),10,14-tetraen-18-yl]-2-methylbut-2-enoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2178fb50-85f7-11ee-991e-532484fd22ff.jpg "2D Structure of (Z)-4-[(1R,2R,7R,16S,18S)-11-hydroxy-10-[(2S)-2-hydroxy-3-methylbut-3-enyl]-16-methoxy-6,6,7,20,20-pentamethyl-13,17-dioxo-3,8,19-trioxahexacyclo[14.4.1.02,14.02,18.04,12.05,9]henicosa-4(12),5(9),10,14-tetraen-18-yl]-2-methylbut-2-enoic 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.90% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.23% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.76% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.09% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.03% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.00% | 94.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.34% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.14% | 91.19% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.10% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.94% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.91% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.99% | 97.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 87.69% | 96.38% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 87.64% | 82.38% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.85% | 97.14% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 85.83% | 80.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.07% | 91.49% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.80% | 95.89% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.79% | 90.08% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.64% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.36% | 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 scortechinii |
| PubChem | 162918433 |
| LOTUS | LTS0084442 |
| wikiData | Q105031056 |