Compounds | Mol. Wt. | Dipole | Donor HB | Accpt HB | QPlog o/w | #metab | Rule of five | %Human oral absorption |
---|---|---|---|---|---|---|---|---|
T1_Curcumin | 368.385 | 8.366 | 2 | 7 | 3.301 | 5 | 0 | 88.976 |
T2_Demethoxycurcumin | 338.359 | 9.291 | 2 | 6.25 | 2.821 | 4 | 0 | 85.615 |
T3_Bisdemethoxycurcumin | 308.333 | 8.477 | 2 | 5.5 | 2.585 | 3 | 0 | 81.091 |
T4_Cyclocurcumin | 368.385 | 5.335 | 2 | 5.75 | 3.488 | 6 | 0 | 90.504 |
T5_Turmerone | 218.338 | 3.649 | 0 | 2 | 4.036 | 6 | 0 | 100 |
T6_Curlone | 218.338 | 3.147 | 0 | 2 | 3.991 | 5 | 0 | 100 |
T7_Curcuphenol | 218.338 | 1.472 | 1 | 0.75 | 4.419 | 6 | 0 | 100 |
N1_Andrographolide | 350.454 | 6.319 | 3 | 8.1 | 1.455 | 6 | 0 | 77.655 |
N2_14deoxyandrographolide | 334.455 | 4.004 | 2 | 6.4 | 2.46 | 6 | 0 | 91.184 |
N3_14deoxy12OH_andrographolide | 350.454 | 4.508 | 2 | 7.1 | 2.04 | 6 | 0 | 83.156 |
N4_betaSitosterol | 414.713 | 2.542 | 1 | 1.7 | 7.643 | 3 | 1 | 100 |
N5_Stigmasterol | 412.698 | 2.464 | 1 | 1.7 | 7.473 | 5 | 1 | 100 |
N6_βSitosterylfattyacidesters | 526.885 | 3.304 | 0 | 2 | 9.625 | 3 | 2 | 100 |
N7_dihydroxydimethoxyflavone | 314.294 | 3.726 | 1 | 4.5 | 2.682 | 4 | 0 | 93.829 |
N8_cinnamateester | 218.295 | 4.054 | 0 | 2 | 3.983 | 0 | 0 | 100 |
Hydroxychloroquine (std) | 335.876 | 6.854 | 2 | 5.7 | 3.369 | 5 | 0 | 93.213 |
Recommended values | 130–725 | 1–12.5 | 0–6 | 2–20 | − 2–6.5 | 1–8 | max 4 | > 80% is high < 25% is poor |