1-[3-[6-[2,4-Dihydroxy-3-(3-methylbut-1-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
| Internal ID | 43496434-bfa9-43b3-be03-1ad949a5729f |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids |
| IUPAC Name | 1-[3-[6-[2,4-dihydroxy-3-(3-methylbut-1-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)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)C=CC(C)C)O)C4=C(C=CC(=C4O)C(=O)C=CC5=CC=C(C=C5)O)O |
| SMILES (Isomeric) | CC1=CC(C(C(C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C(=C(C=C3)O)C=CC(C)C)O)C4=C(C=CC(=C4O)C(=O)C=CC5=CC=C(C=C5)O)O |
| InChI | InChI=1S/C40H38O9/c1-21(2)4-11-27-33(44)16-14-29(38(27)47)40(49)36-30(26-12-10-25(42)20-35(26)46)18-22(3)19-31(36)37-34(45)17-13-28(39(37)48)32(43)15-7-23-5-8-24(41)9-6-23/h4-17,19-21,30-31,36,41-42,44-48H,18H2,1-3H3 |
| InChI Key | SVCKJKFQSRWVEF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C40H38O9 |
| Molecular Weight | 662.70 g/mol |
| Exact Mass | 662.25158279 g/mol |
| Topological Polar Surface Area (TPSA) | 176.00 Ų |
| XlogP | 8.00 |
| There are no found synonyms. |
![2D Structure of 1-[3-[6-[2,4-Dihydroxy-3-(3-methylbut-1-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/a3964970-855b-11ee-b882-7749c9c5a42a.jpg "2D Structure of 1-[3-[6-[2,4-Dihydroxy-3-(3-methylbut-1-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one")
| 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 | 98.40% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.10% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.30% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.33% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 94.91% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.55% | 89.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.51% | 93.56% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 91.38% | 97.64% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 90.59% | 89.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.54% | 85.14% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.23% | 99.15% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.45% | 93.99% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.33% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.93% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.89% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.63% | 95.89% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 85.84% | 85.00% |
| CHEMBL3194 | P02766 | Transthyretin | 84.56% | 90.71% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.55% | 90.24% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 81.12% | 97.36% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.56% | 100.00% |
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 heterophyllus |
| PubChem | 162875746 |
| LOTUS | LTS0195290 |
| wikiData | Q105261814 |