(1R,4R,7S,11S,12S)-14,16-dihydroxy-1,5,5-trimethyl-8-methylidene-12-phenyl-19-oxatetracyclo[9.8.0.0^{4,7.0^{13,18]nonadeca-13,15,17-triene-15,17-dicarbaldehyde
| Internal ID | cb0be266-adf9-4218-af20-fbb64a73cf1f |
| Taxonomy | Phenylpropanoids and polyketides > Neoflavonoids > Prenylated neoflavonoids |
| IUPAC Name | 14,16-dihydroxy-1,5,5-trimethyl-8-methylidene-12-phenyl-19-oxatetracyclo[9.8.0.04,7.013,18]nonadeca-13,15,17-triene-15,17-dicarbaldehyde |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H34O5/c1-17-10-11-23-24(18-8-6-5-7-9-18)25-27(34)20(15-31)26(33)21(16-32)28(25)35-30(23,4)13-12-22-19(17)14-29(22,2)3/h5-9,15-16,19,22-24,33-34H,1,10-14H2,2-4H3 |
| InChI Key | NSFVENNIBGTQJE-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H34O5 |
| Molecular Weight | 474.60 g/mol |
| Exact Mass | 474.24062418 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 6.60 |
| Psidial A |
| 959860-49-2 |
| 1207181-35-8 |
| (1R,4R,7S,11S,12S)-14,16-dihydroxy-1,5,5-trimethyl-8-methylidene-12-phenyl-19-oxatetracyclo[9.8.0.0^{4,7.0^{13,18]nonadeca-13,15,17-triene-15,17-dicarbaldehyde |
| (1S,4R,7S,11R,12S)-14,16-dihydroxy-1,5,5-trimethyl-8-methylidene-12-phenyl-19-oxatetracyclo[9.8.0.0^{4,7.0^{13,18]nonadeca-13,15,17-triene-15,17-dicarbaldehyde |
| (1S,4S,7R,11R,12S)-14,16-dihydroxy-1,5,5-trimethyl-8-methylidene-12-phenyl-19-oxatetracyclo[9.8.0.0^{4,7.0^{13,18]nonadeca-13,15,17-triene-15,17-dicarbaldehyde |
![2D Structure of (1R,4R,7S,11S,12S)-14,16-dihydroxy-1,5,5-trimethyl-8-methylidene-12-phenyl-19-oxatetracyclo[9.8.0.0^{4,7.0^{13,18]nonadeca-13,15,17-triene-15,17-dicarbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/guajadial.jpg "2D Structure of (1R,4R,7S,11S,12S)-14,16-dihydroxy-1,5,5-trimethyl-8-methylidene-12-phenyl-19-oxatetracyclo[9.8.0.0^{4,7.0^{13,18]nonadeca-13,15,17-triene-15,17-dicarbaldehyde")
| 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 | 98.25% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.49% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.77% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.17% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.16% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.77% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.60% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.10% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.98% | 91.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.37% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.22% | 95.89% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 83.09% | 94.62% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.49% | 95.50% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 81.95% | 95.00% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 81.15% | 97.33% |
| CHEMBL5028 | O14672 | ADAM10 | 80.67% | 97.50% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 80.10% | 94.08% |
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.
| Psidium guajava |
| PubChem | 75091753 |
| LOTUS | LTS0072352 |
| wikiData | Q105185006 |