Urushiol II
| Internal ID | 6ffb09ad-66ae-413a-b165-4d08e2e0528f |
| Taxonomy | Benzenoids > Phenols > Benzenediols > Catechols |
| IUPAC Name | 3-[(Z)-pentadec-8-enyl]benzene-1,2-diol |
| SMILES (Canonical) | CCCCCCC=CCCCCCCCC1=C(C(=CC=C1)O)O |
| SMILES (Isomeric) | CCCCCC/C=C\CCCCCCCC1=C(C(=CC=C1)O)O |
| InChI | InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21(19)23/h7-8,15,17-18,22-23H,2-6,9-14,16H2,1H3/b8-7- |
| InChI Key | GWOCLAPCXDOJRL-FPLPWBNLSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H34O2 |
| Molecular Weight | 318.50 g/mol |
| Exact Mass | 318.255880323 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 8.10 |
| Urushiol II [MI] |
| 35237-02-6 |
| Urushiol, (15:1;8Z) |
| (15:1)-urushiol |
| UNII-6ZV92GML86 |
| 6ZV92GML86 |
| 1,2-Benzenediol, 3-(8Z)-8-pentadecen-1-yl- |
| 3-(8Z-pentadecenyl)-catechol |
| 3-[(Z)-pentadec-8-enyl]benzene-1,2-diol |
| (Z)-3-(pentadec-8-en-1-yl)benzene-1,2-diol |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.02% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.88% | 91.11% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 97.62% | 89.63% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 96.80% | 92.08% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.85% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.79% | 94.73% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.28% | 93.99% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.20% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.92% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.45% | 95.56% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 87.26% | 96.25% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 87.18% | 93.31% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 85.09% | 97.00% |
| CHEMBL3891 | P07384 | Calpain 1 | 81.46% | 93.04% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 80.87% | 92.86% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.81% | 91.49% |
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.
| Ginkgo biloba |
| PubChem | 12444627 |
| LOTUS | LTS0105287 |
| wikiData | Q27265793 |