13-hydroxygarcimultiflorone B
| Internal ID | e690cb07-fe5b-4da3-b06d-ef43eee99c5c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Aromatic monoterpenoids |
| IUPAC Name | (1S,9S,11R)-7-(3-hydroxybenzoyl)-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)O)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)O)C[C@H](CC=C(C)C)C(=C)C)C |
| InChI | InChI=1S/C38H48O5/c1-23(2)14-16-27(25(5)6)21-37-22-28(17-15-24(3)4)36(9,10)38(34(37)42)19-18-35(7,8)43-33(38)30(32(37)41)31(40)26-12-11-13-29(39)20-26/h11-15,18-20,27-28,39H,5,16-17,21-22H2,1-4,6-10H3/t27-,28+,37+,38-/m0/s1 |
| InChI Key | QHEPVTQOFRHZAJ-SMDXAGPFSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C38H48O5 |
| Molecular Weight | 584.80 g/mol |
| Exact Mass | 584.35017463 g/mol |
| Topological Polar Surface Area (TPSA) | 80.70 Ų |
| XlogP | 9.20 |
| CHEMBL555031 |
| 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 | 98.68% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.26% | 90.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.36% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.95% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.87% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.56% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.00% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.28% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.99% | 97.09% |
| CHEMBL1907598 | P05106 | Integrin alpha-V/beta-3 | 90.61% | 95.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.75% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.66% | 96.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.58% | 91.19% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.84% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.36% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.23% | 91.07% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.45% | 93.40% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.37% | 99.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.26% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.49% | 99.23% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.40% | 95.93% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.10% | 90.71% |
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 | 25243254 |
| LOTUS | LTS0049846 |
| wikiData | Q105220875 |