(E)-1-[3-[(1R,5R,6S)-6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one
Internal ID | 00b38fe7-9d24-4663-88aa-ac2ffe938347 |
Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids |
IUPAC Name | (E)-1-[3-[(1R,5R,6S)-6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one |
SMILES (Canonical) | CC1=CC(C(C(C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C(=C(C=C3)O)CC=C(C)C)O)C4=C(C=CC(=C4O)C(=O)C=CC5=C(C=C(C=C5)O)O)O |
SMILES (Isomeric) | CC1=C[C@H]([C@H]([C@@H](C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C(=C(C=C3)O)CC=C(C)C)O)C4=C(C=CC(=C4O)C(=O)/C=C/C5=C(C=C(C=C5)O)O)O |
InChI | InChI=1S/C40H38O10/c1-20(2)4-9-26-32(44)14-12-28(38(26)48)40(50)36-29(25-10-8-24(42)19-35(25)47)16-21(3)17-30(36)37-33(45)15-11-27(39(37)49)31(43)13-6-22-5-7-23(41)18-34(22)46/h4-8,10-15,17-19,29-30,36,41-42,44-49H,9,16H2,1-3H3/b13-6+/t29-,30+,36-/m0/s1 |
InChI Key | KBAPHKOHTBBCTO-SDHKVNBFSA-N |
Popularity | 0 references in papers |
Molecular Formula | C40H38O10 |
Molecular Weight | 678.70 g/mol |
Exact Mass | 678.24649740 g/mol |
Topological Polar Surface Area (TPSA) | 196.00 Ų |
XlogP | 7.80 |
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 | 99.45% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 98.61% | 98.95% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.13% | 96.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.52% | 85.14% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.18% | 95.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.44% | 86.33% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 92.14% | 97.36% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.76% | 89.00% |
CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 89.11% | 95.17% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.74% | 90.71% |
CHEMBL3401 | O75469 | Pregnane X receptor | 88.03% | 94.73% |
CHEMBL4208 | P20618 | Proteasome component C5 | 87.07% | 90.00% |
CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 86.68% | 85.00% |
CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.92% | 91.71% |
CHEMBL3194 | P02766 | Transthyretin | 84.02% | 90.71% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.10% | 97.09% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.03% | 89.62% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.39% | 95.89% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.00% | 99.15% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.02% | 93.56% |
CHEMBL2535 | P11166 | Glucose transporter | 80.96% | 98.75% |
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.
Morus alba |
Morus mongolica |
Sorocea bonplandii |
Sorocea guilleminiana |
PubChem | 13194889 |
LOTUS | LTS0135314 |
wikiData | Q104400269 |