Ingredient ID: NPC99773
Formula: C18H18O5
Ingredient ID: NPC9966
Formula: C20H20O7
Ingredient ID: NPC96225
Formula: C21H28O4
Ingredient ID: NPC95526
Formula: C23H28O5
Ingredient ID: NPC31363
Formula: C17H14O5
Ingredient ID: NPC311550
Formula: C14H16O9
Ingredient ID: NPC30128
Formula: C18H18O5
Ingredient ID: NPC290489
Formula: C33H56O4
Ingredient ID: NPC290038
Formula: C21H26O3
Ingredient ID: NPC264749
Formula: C42H54O6
Ingredient ID: NPC257648
Formula: C18H16O5
Ingredient ID: NPC247807
Formula: C15H26O2
Ingredient ID: NPC241715
Formula: C20H34O
Ingredient ID: NPC233763
Formula: C20H26O4
Ingredient ID: NPC224577
Formula: C24H38O4
Ingredient ID: NPC21465
Formula: C20H34O2
Ingredient ID: NPC206420
Formula: C17H16O5
Ingredient ID: NPC188947
Formula: C17H14O4
Ingredient ID: NPC166805
Formula: C20H34O2
Ingredient ID: NPC161571
Formula: C14H12O3
Ingredient ID: NPC138291
Formula: C17H16O6
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NPC138291 | C17H16O6 | (2S)-5-hydroxy-2-(2-hydroxyphenyl)-7,8-dimethoxy-2,3-dihydrochromen-4-one | 316.0946882 | -1.4577 | 2.67 | 1.183 | 1 | 2 | 85.22 | 3 | 3 | 23 | 0 |
NPC161571 | C14H12O3 | Resveratrol | 228.08 | -0.9131 | 2.67 | 3.436 | 0 | 3 | 60.69 | 5 | 2 | 17 | 0 |
NPC166805 | C20H34O2 | 306.2558803 | 0.2473 | 3.44 | 5.524 | 2 | 2 | 40.46 | 2 | 3 | 22 | 1 | |
NPC188947 | C17H14O4 | Bonducellin | 282.09 | -0.6462 | 2.89 | 3.016 | 1 | 1 | 55.76 | 4 | 3 | 21 | 0 |
NPC206420 | C17H16O5 | 300.0997736 | -0.6071 | 2.78 | 0.758 | 5 | 3 | 83.06 | 4 | 3 | 22 | 0 | |
NPC21465 | C20H34O2 | 306.2558803 | 0.7649 | 3.44 | 6.103 | 2 | 2 | 40.46 | 1 | 3 | 22 | 1 | |
NPC224577 | C24H38O4 | 390.2770097 | 0.9527 | 3.66 | 7.613 | 4 | 0 | 52.6 | 5 | 4 | 28 | 1 | |
NPC233763 | C20H26O4 | Nortaepeenin A | 330.18 | 0.2382 | 3.22 | 3.89 | 3 | 0 | 56.51 | 5 | 4 | 24 | 0 |
NPC241715 | C20H34O | 290.2609657 | 1.338 | 3.55 | 7.711 | 1 | 1 | 20.23 | 1 | 3 | 21 | 1 | |
NPC247807 | C15H26O2 | 238.1932801 | 0.4754 | 2.89 | 2.745 | 2 | 2 | 40.46 | 1 | 2 | 17 | 0 | |
NPC257648 | C18H16O5 | 312.1 | -0.698 | 2.89 | 2.572 | 1 | 1 | 64.99 | 6 | 3 | 23 | 0 | |
NPC264749 | C42H54O6 | 654.3920394 | 1.952 | 5.42 | 11.085 | 6 | 0 | 78.88 | 5 | 8 | 48 | 1 | |
NPC290038 | C21H26O3 | 326.19 | 1.0674 | 3.44 | 5.774 | 2 | 0 | 39.44 | 6 | 4 | 24 | 1 | |
NPC290489 | C33H56O4 | 516.4178603 | -6.9237 | 4.65 | 14.192 | 4 | 2 | 66.76 | 26 | 1 | 37 | 2 | |
NPC30128 | C18H18O5 | 314.1154237 | -0.1986 | 2.89 | 1.277 | 5 | 2 | 72.06 | 5 | 3 | 23 | 0 | |
NPC311550 | C14H16O9 | 328.0794321 | -2.8389 | 2.01 | -2.021 | 9 | 5 | 145.91 | 2 | 3 | 23 | 0 | |
NPC31363 | C17H14O5 | Intricatinol | 298.08 | -1.1065 | 2.78 | 2.482 | 1 | 2 | 75.99 | 5 | 3 | 22 | 0 |
NPC95526 | C23H28O5 | Taepeenin D | 384.19 | 0.6802 | 3.44 | 4.64 | 4 | 0 | 65.74 | 9 | 4 | 28 | 0 |
NPC96225 | C21H28O4 | 344.1987594 | 0.4134 | 3.33 | 3.34 | 4 | 1 | 59.67 | 2 | 4 | 25 | 0 | |
NPC9966 | C20H20O7 | 372.12 | -0.7626 | 2.89 | 2.236 | 1 | 0 | 72.45 | 11 | 3 | 27 | 0 | |
NPC99773 | C18H18O5 | 314.1154237 | -0.5184 | 2.89 | 3.358 | 5 | 1 | 64.99 | 6 | 2 | 23 | 0 |