[(10R,11S)-3-hydroxy-10-(4-hydroxy-3-methoxyphenyl)-1-methoxy-6,9,10,11-tetrahydro-5H-naphtho[1,2-g]chromen-11-yl] acetate
Internal ID | c92c16f1-1aff-4496-8407-74a7ece9a345 |
Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 3-O-methylated isoflavonoids |
IUPAC Name | [(10R,11S)-3-hydroxy-10-(4-hydroxy-3-methoxyphenyl)-1-methoxy-6,9,10,11-tetrahydro-5H-naphtho[1,2-g]chromen-11-yl] acetate |
SMILES (Canonical) | CC(=O)OC1C(COC2=C1C=C3C(=C2)CCC4=C3C(=CC(=C4)O)OC)C5=CC(=C(C=C5)O)OC |
SMILES (Isomeric) | CC(=O)O[C@H]1[C@@H](COC2=C1C=C3C(=C2)CCC4=C3C(=CC(=C4)O)OC)C5=CC(=C(C=C5)O)OC |
InChI | InChI=1S/C27H26O7/c1-14(28)34-27-20-12-19-15(4-5-17-8-18(29)11-25(32-3)26(17)19)9-23(20)33-13-21(27)16-6-7-22(30)24(10-16)31-2/h6-12,21,27,29-30H,4-5,13H2,1-3H3/t21-,27+/m0/s1 |
InChI Key | CMIPGPXJTWZURY-KDYSTLNUSA-N |
Popularity | 0 references in papers |
Molecular Formula | C27H26O7 |
Molecular Weight | 462.50 g/mol |
Exact Mass | 462.16785316 g/mol |
Topological Polar Surface Area (TPSA) | 94.40 Ų |
XlogP | 4.30 |
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 | 99.60% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.76% | 96.09% |
CHEMBL2581 | P07339 | Cathepsin D | 94.62% | 98.95% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 94.60% | 91.49% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.19% | 94.45% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.55% | 85.14% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.02% | 86.33% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.84% | 99.17% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 92.69% | 91.19% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.62% | 95.56% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.54% | 97.09% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.50% | 89.00% |
CHEMBL4208 | P20618 | Proteasome component C5 | 88.54% | 90.00% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.64% | 100.00% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.57% | 92.62% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.34% | 95.89% |
CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 87.27% | 82.67% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.55% | 96.95% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.51% | 95.89% |
CHEMBL2535 | P11166 | Glucose transporter | 82.99% | 98.75% |
CHEMBL3194 | P02766 | Transthyretin | 82.72% | 90.71% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.57% | 89.50% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.08% | 94.00% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.82% | 89.62% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.38% | 99.15% |
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 | 163057786 |
LOTUS | LTS0204662 |
wikiData | Q104964611 |