Flavochrome
| Internal ID | f6b1ea02-24fa-45b6-ae22-83b6f09e3e40 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Tetraterpenoids > Carotenoids > Xanthophylls |
| IUPAC Name | 4,4,7a-trimethyl-2-[(2E,4E,6E,8E,10E,12E,14E,16E)-6,11,15-trimethyl-17-(2,6,6-trimethylcyclohex-2-en-1-yl)heptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-2,5,6,7-tetrahydro-1-benzofuran |
| SMILES (Canonical) | CC1=CCCC(C1C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C2C=C3C(CCCC3(O2)C)(C)C)C)C)(C)C |
| SMILES (Isomeric) | CC1=CCCC(C1/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C2C=C3C(CCCC3(O2)C)(C)C)/C)/C)(C)C |
| InChI | InChI=1S/C40H56O/c1-30(19-13-20-32(3)24-25-35-33(4)23-15-26-38(35,6)7)17-11-12-18-31(2)21-14-22-34(5)36-29-37-39(8,9)27-16-28-40(37,10)41-36/h11-14,17-25,29,35-36H,15-16,26-28H2,1-10H3/b12-11+,19-13+,21-14+,25-24+,30-17+,31-18+,32-20+,34-22+ |
| InChI Key | QWVMSYBGKWZIIE-FZKBJVJCSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C40H56O |
| Molecular Weight | 552.90 g/mol |
| Exact Mass | 552.433116406 g/mol |
| Topological Polar Surface Area (TPSA) | 9.20 Ų |
| XlogP | 12.50 |
| UNII-MO0US97U17 |
| 5,8-Epoxy-5,8-dihydro-b,e-carotene |
| 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 | 97.74% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.49% | 97.25% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.47% | 92.94% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.11% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.26% | 96.09% |
| CHEMBL2061 | P19793 | Retinoid X receptor alpha | 87.83% | 91.67% |
| CHEMBL2004 | P48443 | Retinoid X receptor gamma | 87.15% | 100.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 86.32% | 96.61% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 85.89% | 89.63% |
| CHEMBL1870 | P28702 | Retinoid X receptor beta | 85.29% | 95.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.23% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.50% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.33% | 100.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.78% | 95.50% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 82.92% | 90.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.07% | 98.95% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.00% | 95.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.66% | 86.33% |
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.
| Citrus × aurantium |
| Rheum officinale |
| Solanum lycopersicum |