(6R)-5,9,14-trihydroxy-11-methoxy-3,3-dimethyl-6-prop-1-en-2-yl-6,7-dihydrochromeno[7,6-c]xanthen-8-one
Internal ID | 6a93c316-4b45-49bf-95c6-cd55ec165a80 |
Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
IUPAC Name | (6R)-5,9,14-trihydroxy-11-methoxy-3,3-dimethyl-6-prop-1-en-2-yl-6,7-dihydrochromeno[7,6-c]xanthen-8-one |
SMILES (Canonical) | CC(=C)C1CC2=C(C3=C1C(=C4C(=C3O)C=CC(O4)(C)C)O)OC5=CC(=CC(=C5C2=O)O)OC |
SMILES (Isomeric) | CC(=C)[C@H]1CC2=C(C3=C1C(=C4C(=C3O)C=CC(O4)(C)C)O)OC5=CC(=CC(=C5C2=O)O)OC |
InChI | InChI=1S/C26H24O7/c1-11(2)14-10-15-22(29)19-16(27)8-12(31-5)9-17(19)32-24(15)20-18(14)23(30)25-13(21(20)28)6-7-26(3,4)33-25/h6-9,14,27-28,30H,1,10H2,2-5H3/t14-/m1/s1 |
InChI Key | CNWSDOLXOOXOCZ-CQSZACIVSA-N |
Popularity | 0 references in papers |
Molecular Formula | C26H24O7 |
Molecular Weight | 448.50 g/mol |
Exact Mass | 448.15220310 g/mol |
Topological Polar Surface Area (TPSA) | 105.00 Ų |
XlogP | 5.10 |
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 | 99.93% | 91.11% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 99.72% | 91.49% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 99.01% | 94.45% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.12% | 85.14% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.28% | 89.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.91% | 96.09% |
CHEMBL2581 | P07339 | Cathepsin D | 93.84% | 98.95% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.83% | 94.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.10% | 95.56% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.48% | 91.19% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.45% | 99.15% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.42% | 95.89% |
CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 87.25% | 95.71% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.07% | 99.23% |
CHEMBL4208 | P20618 | Proteasome component C5 | 86.92% | 90.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.85% | 97.09% |
CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 86.83% | 80.00% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.17% | 96.77% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.39% | 99.17% |
CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 83.83% | 85.11% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.47% | 90.71% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.07% | 86.33% |
CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 82.82% | 94.42% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.78% | 92.62% |
CHEMBL3401 | O75469 | Pregnane X receptor | 82.06% | 94.73% |
CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 81.86% | 97.33% |
CHEMBL5408 | Q9UHD2 | Serine/threonine-protein kinase TBK1 | 81.13% | 90.48% |
CHEMBL2535 | P11166 | Glucose transporter | 80.52% | 98.75% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.20% | 97.14% |
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.
Artocarpus altilis |
PubChem | 162992280 |
LOTUS | LTS0236679 |
wikiData | Q104966399 |