(2S,3S,5R)-5-methoxy-3-methyl-5-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-6-one
Internal ID | 59a5e7d0-6bd6-42d4-bdff-62a5138fde42 |
Taxonomy | Organoheterocyclic compounds > Benzofurans |
IUPAC Name | (2S,3S,5R)-5-methoxy-3-methyl-5-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-6-one |
SMILES (Canonical) | CC1C(OC2=CC(=O)C(C=C12)(CC=C)OC)C3=CC(=C(C(=C3)OC)OC)OC |
SMILES (Isomeric) | C[C@@H]1[C@H](OC2=CC(=O)[C@](C=C12)(CC=C)OC)C3=CC(=C(C(=C3)OC)OC)OC |
InChI | InChI=1S/C22H26O6/c1-7-8-22(27-6)12-15-13(2)20(28-16(15)11-19(22)23)14-9-17(24-3)21(26-5)18(10-14)25-4/h7,9-13,20H,1,8H2,2-6H3/t13-,20-,22+/m0/s1 |
InChI Key | KDQGWTQUOFLYNK-DLQQFWPKSA-N |
Popularity | 0 references in papers |
Molecular Formula | C22H26O6 |
Molecular Weight | 386.40 g/mol |
Exact Mass | 386.17293854 g/mol |
Topological Polar Surface Area (TPSA) | 63.20 Ų |
XlogP | 3.00 |
There are no found synonyms. |
![2D Structure of (2S,3S,5R)-5-methoxy-3-methyl-5-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-6-one 2D Structure of (2S,3S,5R)-5-methoxy-3-methyl-5-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/66bbb070-86f3-11ee-8eff-5bf392c29544.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 | 97.28% | 91.11% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.36% | 85.14% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.67% | 96.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.77% | 86.33% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.75% | 95.56% |
CHEMBL4302 | P08183 | P-glycoprotein 1 | 87.70% | 92.98% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.20% | 86.92% |
CHEMBL3401 | O75469 | Pregnane X receptor | 86.56% | 94.73% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.15% | 97.14% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.86% | 96.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.74% | 89.00% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.87% | 91.07% |
CHEMBL2581 | P07339 | Cathepsin D | 83.81% | 98.95% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.81% | 94.00% |
CHEMBL4530 | P00488 | Coagulation factor XIII | 81.84% | 96.00% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.52% | 97.25% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.05% | 94.80% |
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.
Aniba riparia |
Rhodostemonodaphne miranda |
PubChem | 163036938 |
LOTUS | LTS0198269 |
wikiData | Q105139334 |