(2,3,5-Trihydroxy-4,6-dimethoxycyclohexyl) 2,2-dimethyl-8-(3-methylbut-2-enyl)chromene-6-carboxylate
Internal ID | 8f5d5088-6570-43e3-b1f4-7f705d0068d6 |
Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > 2,2-dimethyl-1-benzopyrans |
IUPAC Name | (2,3,5-trihydroxy-4,6-dimethoxycyclohexyl) 2,2-dimethyl-8-(3-methylbut-2-enyl)chromene-6-carboxylate |
SMILES (Canonical) | CC(=CCC1=CC(=CC2=C1OC(C=C2)(C)C)C(=O)OC3C(C(C(C(C3OC)O)OC)O)O)C |
SMILES (Isomeric) | CC(=CCC1=CC(=CC2=C1OC(C=C2)(C)C)C(=O)OC3C(C(C(C(C3OC)O)OC)O)O)C |
InChI | InChI=1S/C25H34O8/c1-13(2)7-8-14-11-16(12-15-9-10-25(3,4)33-20(14)15)24(29)32-23-18(27)17(26)21(30-5)19(28)22(23)31-6/h7,9-12,17-19,21-23,26-28H,8H2,1-6H3 |
InChI Key | ZVBMXRUPQKEYOX-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C25H34O8 |
Molecular Weight | 462.50 g/mol |
Exact Mass | 462.22536804 g/mol |
Topological Polar Surface Area (TPSA) | 115.00 Ų |
XlogP | 2.40 |
There are no found synonyms. |
![2D Structure of (2,3,5-Trihydroxy-4,6-dimethoxycyclohexyl) 2,2-dimethyl-8-(3-methylbut-2-enyl)chromene-6-carboxylate 2D Structure of (2,3,5-Trihydroxy-4,6-dimethoxycyclohexyl) 2,2-dimethyl-8-(3-methylbut-2-enyl)chromene-6-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/235-trihydroxy-46-dimethoxycyclohexyl-22-dimethyl-8-3-methylbut-2-enylchromene-6-carboxylate.jpg)
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 | 98.38% | 91.11% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.60% | 90.17% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.58% | 96.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.97% | 85.14% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 89.78% | 97.28% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 89.06% | 91.07% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.61% | 99.17% |
CHEMBL3401 | O75469 | Pregnane X receptor | 87.97% | 94.73% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.44% | 86.33% |
CHEMBL2581 | P07339 | Cathepsin D | 85.97% | 98.95% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.01% | 96.95% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.84% | 91.19% |
CHEMBL4208 | P20618 | Proteasome component C5 | 83.83% | 90.00% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.33% | 100.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.66% | 89.00% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.62% | 92.62% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.22% | 95.89% |
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.
Anodendron affine |
Kopsia singapurensis |
PubChem | 73816126 |
LOTUS | LTS0268415 |
wikiData | Q105228224 |