(3-hydroxyphenyl)-[(7Z)-3,18,19,26-tetrahydroxy-14-oxapentacyclo[21.3.1.12,6.19,13.015,20]nonacosa-1(26),2,4,6(29),7,9(28),10,12,15(20),16,18,23(27),24-tridecaen-16-yl]methanone
| Internal ID | 20a01ff4-7ec3-402b-81d6-9cd249b1def7 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzophenones |
| IUPAC Name | (3-hydroxyphenyl)-[(7Z)-3,18,19,26-tetrahydroxy-14-oxapentacyclo[21.3.1.12,6.19,13.015,20]nonacosa-1(26),2,4,6(29),7,9(28),10,12,15(20),16,18,23(27),24-tridecaen-16-yl]methanone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H26O7/c36-24-5-2-4-23(18-24)33(40)29-19-32(39)34(41)26-12-9-22-11-14-31(38)28(17-22)27-16-21(10-13-30(27)37)8-7-20-3-1-6-25(15-20)42-35(26)29/h1-8,10-11,13-19,36-39,41H,9,12H2/b8-7- |
| InChI Key | CUJQJRFSAARLNI-FPLPWBNLSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C35H26O7 |
| Molecular Weight | 558.60 g/mol |
| Exact Mass | 558.16785316 g/mol |
| Topological Polar Surface Area (TPSA) | 127.00 Ų |
| XlogP | 7.40 |
| There are no found synonyms. |
![2D Structure of (3-hydroxyphenyl)-[(7Z)-3,18,19,26-tetrahydroxy-14-oxapentacyclo[21.3.1.12,6.19,13.015,20]nonacosa-1(26),2,4,6(29),7,9(28),10,12,15(20),16,18,23(27),24-tridecaen-16-yl]methanone](https://plantaedb.com/storage/docs/compounds/2023/11/b94cb8d0-85e1-11ee-ba66-f1e4c052888b.jpg "2D Structure of (3-hydroxyphenyl)-[(7Z)-3,18,19,26-tetrahydroxy-14-oxapentacyclo[21.3.1.12,6.19,13.015,20]nonacosa-1(26),2,4,6(29),7,9(28),10,12,15(20),16,18,23(27),24-tridecaen-16-yl]methanone")
| 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 | 97.69% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.39% | 91.49% |
| CHEMBL2535 | P11166 | Glucose transporter | 95.76% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.46% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.60% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.34% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.25% | 86.33% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.76% | 95.50% |
| CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 86.28% | 91.65% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.22% | 99.15% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.11% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.28% | 89.00% |
| CHEMBL3194 | P02766 | Transthyretin | 83.95% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.89% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.79% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.68% | 90.71% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.13% | 96.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.26% | 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.
| There are no matching plants. |
| PubChem | 101006808 |
| LOTUS | LTS0077296 |
| wikiData | Q104970314 |