penicitrinol A
| Internal ID | bda5568e-18b0-4b7e-8b82-596b062cfd48 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthenes |
| IUPAC Name | (1R,6S,7R,17S,18R)-4,6,7,15,17,18-hexamethyl-8,11,19-trioxapentacyclo[10.7.1.02,10.05,9.016,20]icosa-2,4,9,12(20),13,15-hexaene-3,14-diol |
| SMILES (Canonical) | CC1C(OC2C3=C(C=C(C(=C13)C)O)OC4=C5C(=C(C(=C24)O)C)C(C(O5)C)C)C |
| SMILES (Isomeric) | C[C@@H]1[C@H](O[C@@H]2C3=C(C=C(C(=C13)C)O)OC4=C5C(=C(C(=C24)O)C)[C@@H]([C@H](O5)C)C)C |
| InChI | InChI=1S/C23H26O5/c1-8-12(5)26-21-18-15(7-14(24)10(3)16(8)18)28-23-19(21)20(25)11(4)17-9(2)13(6)27-22(17)23/h7-9,12-13,21,24-25H,1-6H3/t8-,9-,12-,13-,21-/m1/s1 |
| InChI Key | CRGUXPKRGKYBJY-ZUZBTREBSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C23H26O5 |
| Molecular Weight | 382.40 g/mol |
| Exact Mass | 382.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 68.20 Ų |
| XlogP | 4.50 |
| CHEMBL457490 |
| 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 | 97.46% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.32% | 91.49% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.77% | 92.94% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.04% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.86% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.67% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.70% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.16% | 89.00% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 82.46% | 86.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.92% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.21% | 99.17% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 81.09% | 91.79% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.67% | 93.65% |
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 | 44567617 |
| LOTUS | LTS0132577 |
| wikiData | Q77518771 |