2-[4-[(2,7-Dihydroxy-4-methoxy-9,10-dihydrophenanthren-1-yl)methyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Internal ID | 4a509c19-00dc-4e02-984e-c9089f798fde |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
IUPAC Name | 2-[4-[(2,7-dihydroxy-4-methoxy-9,10-dihydrophenanthren-1-yl)methyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
SMILES (Canonical) | COC1=C2C(=C(C(=C1)O)CC3=CC=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)CCC5=C2C=CC(=C5)O |
SMILES (Isomeric) | COC1=C2C(=C(C(=C1)O)CC3=CC=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)CCC5=C2C=CC(=C5)O |
InChI | InChI=1S/C28H30O9/c1-35-22-12-21(31)20(19-8-4-15-11-16(30)5-9-18(15)24(19)22)10-14-2-6-17(7-3-14)36-28-27(34)26(33)25(32)23(13-29)37-28/h2-3,5-7,9,11-12,23,25-34H,4,8,10,13H2,1H3 |
InChI Key | UYBXSAYNPDHMBB-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C28H30O9 |
Molecular Weight | 510.50 g/mol |
Exact Mass | 510.18898253 g/mol |
Topological Polar Surface Area (TPSA) | 149.00 Ų |
XlogP | 2.90 |
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 | 99.46% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.99% | 96.09% |
CHEMBL2581 | P07339 | Cathepsin D | 97.10% | 98.95% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.53% | 99.17% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 95.80% | 95.89% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.81% | 97.09% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.78% | 94.00% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 94.78% | 91.49% |
CHEMBL242 | Q92731 | Estrogen receptor beta | 94.10% | 98.35% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 93.09% | 95.89% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.72% | 86.33% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 92.08% | 95.78% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 91.94% | 96.21% |
CHEMBL4208 | P20618 | Proteasome component C5 | 91.21% | 90.00% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 90.11% | 95.93% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.63% | 95.56% |
CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 86.26% | 95.53% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.93% | 94.45% |
CHEMBL5747 | Q92793 | CREB-binding protein | 85.25% | 95.12% |
CHEMBL2535 | P11166 | Glucose transporter | 84.59% | 98.75% |
CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 84.04% | 85.00% |
CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 83.64% | 96.09% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.51% | 99.15% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.17% | 92.62% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.88% | 86.92% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.75% | 92.94% |
CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 82.22% | 91.79% |
CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 82.14% | 82.67% |
CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 80.73% | 94.00% |
CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 80.57% | 96.69% |
CHEMBL261 | P00915 | Carbonic anhydrase I | 80.33% | 96.76% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.01% | 95.50% |
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.
Bletilla striata |
PubChem | 162961557 |
LOTUS | LTS0205442 |
wikiData | Q105281276 |