garcimultiflorone B
| Internal ID | 2a43fc79-02a3-497c-91ff-2c3158f013ab |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Aromatic monoterpenoids |
| IUPAC Name | (1S,9S,11R)-7-benzoyl-4,4,12,12-tetramethyl-11-(3-methylbut-2-enyl)-9-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-5-oxatricyclo[7.3.1.01,6]trideca-2,6-diene-8,13-dione |
| SMILES (Canonical) | CC(=CCC1CC2(C(=O)C(=C3C(C2=O)(C1(C)C)C=CC(O3)(C)C)C(=O)C4=CC=CC=C4)CC(CC=C(C)C)C(=C)C)C |
| SMILES (Isomeric) | CC(=CC[C@@H]1C[C@@]2(C(=O)C(=C3[C@@](C2=O)(C1(C)C)C=CC(O3)(C)C)C(=O)C4=CC=CC=C4)C[C@H](CC=C(C)C)C(=C)C)C |
| InChI | InChI=1S/C38H48O4/c1-24(2)16-18-28(26(5)6)22-37-23-29(19-17-25(3)4)36(9,10)38(34(37)41)21-20-35(7,8)42-33(38)30(32(37)40)31(39)27-14-12-11-13-15-27/h11-17,20-21,28-29H,5,18-19,22-23H2,1-4,6-10H3/t28-,29+,37+,38-/m0/s1 |
| InChI Key | MBFYFWIEWICZQJ-JJBABQCSSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C38H48O4 |
| Molecular Weight | 568.80 g/mol |
| Exact Mass | 568.35526001 g/mol |
| Topological Polar Surface Area (TPSA) | 60.40 Ų |
| XlogP | 9.50 |
| CHEMBL556137 |
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 99.36% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.47% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.59% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.78% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.25% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.96% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.85% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.62% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.50% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.49% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.21% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.15% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.63% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.24% | 91.19% |
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 multiflora |
| PubChem | 25243329 |
| LOTUS | LTS0120069 |
| wikiData | Q105160718 |