Oxygenated xanthohumol
Internal ID | fa870a57-dd21-4a7f-8459-dcc794b45764 |
Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 3-prenylated chalcones |
IUPAC Name | (E)-1-[2,4-dihydroxy-3-(2-hydroxy-3-methoxy-3-methylbutyl)-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one |
SMILES (Canonical) | CC(C)(C(CC1=C(C(=C(C=C1O)OC)C(=O)C=CC2=CC=C(C=C2)O)O)O)OC |
SMILES (Isomeric) | CC(C)(C(CC1=C(C(=C(C=C1O)OC)C(=O)/C=C/C2=CC=C(C=C2)O)O)O)OC |
InChI | InChI=1S/C22H26O7/c1-22(2,29-4)19(26)11-15-17(25)12-18(28-3)20(21(15)27)16(24)10-7-13-5-8-14(23)9-6-13/h5-10,12,19,23,25-27H,11H2,1-4H3/b10-7+ |
InChI Key | YXGBQKBRCDLZMP-JXMROGBWSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C22H26O7 |
Molecular Weight | 402.40 g/mol |
Exact Mass | 402.16785316 g/mol |
Topological Polar Surface Area (TPSA) | 116.00 Ų |
XlogP | 3.30 |
CHEBI:66333 |
CHEMBL481442 |
Q27134881 |
(2E)-1-[2,4-dihydroxy-3-(2-hydroxy-3-methoxy-3-methylbutyl)-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one |
(E)-1-[2,4-dihydroxy-3-(2-hydroxy-3-methoxy-3-methylbutyl)-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one |
rac-1-[2,4-Dihydroxy-3-(2-hydroxy-3-methoxy-3-methylbutyl)-6-methoxyphenyl]-3-(4-hydroxyphenyl)propenone |

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 | 96.57% | 91.11% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.93% | 86.33% |
CHEMBL2581 | P07339 | Cathepsin D | 94.87% | 98.95% |
CHEMBL3194 | P02766 | Transthyretin | 93.94% | 90.71% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.77% | 85.14% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.77% | 96.09% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.91% | 99.17% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 92.83% | 89.62% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.01% | 95.56% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.78% | 96.00% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.14% | 93.99% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.85% | 89.00% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.64% | 95.50% |
CHEMBL4208 | P20618 | Proteasome component C5 | 86.57% | 90.00% |
CHEMBL2535 | P11166 | Glucose transporter | 86.19% | 98.75% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.44% | 94.45% |
CHEMBL3401 | O75469 | Pregnane X receptor | 85.38% | 94.73% |
CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 84.00% | 100.00% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.75% | 89.50% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.56% | 96.95% |
CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 82.28% | 90.93% |
CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.18% | 91.71% |
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.
Humulus lupulus |
PubChem | 11258152 |
NPASS | NPC316769 |
ChEMBL | CHEMBL481442 |
LOTUS | LTS0149206 |
wikiData | Q27134881 |