(1Z,2S,3S)-2-(3,5-dihydroxyphenyl)-1-[[(2S,3S)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methylidene]-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydroindene-4,6-diol
Internal ID | 05c85ce4-4911-4dbb-898f-404b399b9e13 |
Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
IUPAC Name | (1Z,2S,3S)-2-(3,5-dihydroxyphenyl)-1-[[(2S,3S)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methylidene]-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydroindene-4,6-diol |
SMILES (Canonical) | COC1=CC(=CC2=C1OC(C2C3=CC(=CC(=C3)O)O)C4=CC(=C(C=C4)O)OC)C=C5C(C(C6=C5C=C(C=C6O)O)C7=CC(=C(C=C7)O)OC)C8=CC(=CC(=C8)O)O |
SMILES (Isomeric) | COC1=CC(=CC2=C1O[C@@H]([C@H]2C3=CC(=CC(=C3)O)O)C4=CC(=C(C=C4)O)OC)/C=C\5/[C@@H]([C@H](C6=C5C=C(C=C6O)O)C7=CC(=C(C=C7)O)OC)C8=CC(=CC(=C8)O)O |
InChI | InChI=1S/C45H38O12/c1-54-37-15-22(4-6-34(37)51)42-40(24-11-26(46)17-27(47)12-24)31(32-19-30(50)20-36(53)43(32)42)8-21-9-33-41(25-13-28(48)18-29(49)14-25)44(57-45(33)39(10-21)56-3)23-5-7-35(52)38(16-23)55-2/h4-20,40-42,44,46-53H,1-3H3/b31-8+/t40-,41-,42+,44+/m0/s1 |
InChI Key | OCSURPBGSRYDAT-LQSYWZMYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C45H38O12 |
Molecular Weight | 770.80 g/mol |
Exact Mass | 770.23632664 g/mol |
Topological Polar Surface Area (TPSA) | 199.00 Ų |
XlogP | 7.10 |
There are no found synonyms. |
![2D Structure of (1Z,2S,3S)-2-(3,5-dihydroxyphenyl)-1-[[(2S,3S)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methylidene]-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydroindene-4,6-diol 2D Structure of (1Z,2S,3S)-2-(3,5-dihydroxyphenyl)-1-[[(2S,3S)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methylidene]-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydroindene-4,6-diol](https://plantaedb.com/storage/docs/compounds/2023/11/91b99ce0-83ca-11ee-8c03-f37dbd03cb1e.jpg)
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 | 98.52% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.18% | 96.09% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 95.82% | 91.49% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.12% | 95.56% |
CHEMBL3194 | P02766 | Transthyretin | 91.75% | 90.71% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.72% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.42% | 86.33% |
CHEMBL4208 | P20618 | Proteasome component C5 | 88.19% | 90.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.96% | 99.17% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.70% | 89.62% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.68% | 85.14% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.66% | 99.15% |
CHEMBL3438 | Q05513 | Protein kinase C zeta | 85.05% | 88.48% |
CHEMBL3401 | O75469 | Pregnane X receptor | 84.50% | 94.73% |
CHEMBL2535 | P11166 | Glucose transporter | 83.10% | 98.75% |
CHEMBL1929 | P47989 | Xanthine dehydrogenase | 82.67% | 96.12% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.52% | 92.94% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.35% | 92.62% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.85% | 95.89% |
CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 81.83% | 100.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.31% | 97.09% |
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.
Gnetum hainanense |
PubChem | 101105195 |
LOTUS | LTS0271245 |
wikiData | Q105189555 |