(2S,3S,3aR,7aS)-7a-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methyl-3a-prop-2-enyl-3,4-dihydro-2H-1-benzofuran-7-one
Internal ID | dca4e46f-6a18-47a8-b945-76de7a64a622 |
Taxonomy | Benzenoids > Phenols > Methoxyphenols |
IUPAC Name | (2S,3S,3aR,7aS)-7a-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methyl-3a-prop-2-enyl-3,4-dihydro-2H-1-benzofuran-7-one |
SMILES (Canonical) | CC1C(OC2(C1(CC=CC2=O)CC=C)O)C3=CC(=C(C=C3)O)OC |
SMILES (Isomeric) | C[C@@H]1[C@H](O[C@]2([C@@]1(CC=CC2=O)CC=C)O)C3=CC(=C(C=C3)O)OC |
InChI | InChI=1S/C19H22O5/c1-4-9-18-10-5-6-16(21)19(18,22)24-17(12(18)2)13-7-8-14(20)15(11-13)23-3/h4-8,11-12,17,20,22H,1,9-10H2,2-3H3/t12-,17+,18-,19-/m1/s1 |
InChI Key | TZAXQHDIMDQXRD-YJQAKTFBSA-N |
Popularity | 0 references in papers |
Molecular Formula | C19H22O5 |
Molecular Weight | 330.40 g/mol |
Exact Mass | 330.14672380 g/mol |
Topological Polar Surface Area (TPSA) | 76.00 Ų |
XlogP | 2.70 |
There are no found synonyms. |
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 | 99.57% | 91.11% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.34% | 85.14% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.84% | 96.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.05% | 95.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.37% | 86.33% |
CHEMBL4208 | P20618 | Proteasome component C5 | 90.22% | 90.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.98% | 89.00% |
CHEMBL2581 | P07339 | Cathepsin D | 89.87% | 98.95% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.85% | 94.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.61% | 97.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.84% | 94.45% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.65% | 92.94% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.92% | 97.14% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.62% | 92.62% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.05% | 95.89% |
CHEMBL3401 | O75469 | Pregnane X receptor | 80.88% | 94.73% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.83% | 99.17% |
CHEMBL4530 | P00488 | Coagulation factor XIII | 80.37% | 96.00% |
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 ferrea |
PubChem | 101618555 |
LOTUS | LTS0250248 |
wikiData | Q105267870 |