Tricyclo[12.3.1.1~2,6~]nonadeca-1(18),2(19),3,5,14,16-hexaene-3,8,9,11,12,17-hexol
| Internal ID | c3cf3db2-205e-4ef7-8f97-6e32a041eed5 |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Cyclic diarylheptanoids > Meta,meta-bridged biphenyls |
| IUPAC Name | tricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,8,9,11,12,17-hexol |
| SMILES (Canonical) | C1C(C(CC2=CC(=C(C=C2)O)C3=C(C=CC(=C3)CC(C1O)O)O)O)O |
| SMILES (Isomeric) | C1C(C(CC2=CC(=C(C=C2)O)C3=C(C=CC(=C3)CC(C1O)O)O)O)O |
| InChI | InChI=1S/C19H22O6/c20-14-3-1-10-5-12(14)13-6-11(2-4-15(13)21)8-17(23)19(25)9-18(24)16(22)7-10/h1-6,16-25H,7-9H2 |
| InChI Key | OEEVVKOBSPJYJH-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H22O6 |
| Molecular Weight | 346.40 g/mol |
| Exact Mass | 346.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 121.00 Ų |
| XlogP | 1.00 |
| Tricyclo[12.3.1.1~2,6~]nonadeca-1(18),2(19),3,5,14,16-hexaene-3,8,9,11,12,17-hexol |
| CHEMBL3617766 |
| DTXSID30772349 |
![2D Structure of Tricyclo[12.3.1.1~2,6~]nonadeca-1(18),2(19),3,5,14,16-hexaene-3,8,9,11,12,17-hexol](https://plantaedb.com/storage/docs/compounds/2023/11/tricyclo1231126nonadeca-118219351416-hexaene-389111217-hexol.jpg "2D Structure of Tricyclo[12.3.1.1~2,6~]nonadeca-1(18),2(19),3,5,14,16-hexaene-3,8,9,11,12,17-hexol")
| 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 | 97.80% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.27% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.87% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.75% | 99.15% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.41% | 97.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.19% | 97.21% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.31% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.01% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.83% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.41% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.36% | 95.89% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 81.02% | 83.10% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.86% | 89.62% |
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.
| Alnus japonica |
| PubChem | 71346180 |
| LOTUS | LTS0152105 |
| wikiData | Q82732650 |