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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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14 results for Pattern / motif query
Pattern / motif 14 results DB Docking_panel_21
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Query interpretation
Pattern registry Vnos: hemiacetal Hemiacetal
ID 519 DB Docking_panel_21
2D structure

OHD_Leishmania_402

ID 519

CC1=C[C@@](O)(C[C@H](C)[C@]2(C)CC=C3C4=CC[C@@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)OC1=O

Formula: C30H44O4

MW: 468.68 | LogP: 6.09

TPSA: 66.76

Patterns:

ID 543 DB Docking_panel_21
2D structure

OHD_Leishmania_403

ID 543

CC1=C[C@@](O)(C[C@@H](C)[C@]2(C)CC[C@@H]3C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)C4=CC[C@@]32C)OC1=O

Formula: C30H44O4

MW: 468.68 | LogP: 6.09

TPSA: 66.76

Patterns:

ID 1130 DB Docking_panel_21
2D structure

OHD_TbNat_137

ID 1130

COC(=O)C1=CO[C@H](O)[C@H]2[C@@H](C)[C@H](OC(=O)/C=C/c3ccc(O)cc3)C[C@H]12

Formula: C20H22O7

MW: 374.39 | LogP: 1.99

TPSA: 102.29

Patterns:

ID 2025 DB Docking_panel_21
2D structure

OHD_TbNat_137

ID 2025

COC(=O)C1=CO[C@@H](O)[C@H]2[C@@H](C)[C@H](OC(=O)/C=C/c3ccc(O)cc3)C[C@H]12

Formula: C20H22O7

MW: 374.39 | LogP: 1.99

TPSA: 102.29

Patterns:

ID 2095 DB Docking_panel_21
2D structure

OHD_Leishmania_403

ID 2095

CC1=C[C@@](O)(C[C@@H](C)[C@@]2(C)CC[C@@H]3C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)C4=CC[C@@]32C)OC1=O

Formula: C30H44O4

MW: 468.68 | LogP: 6.09

TPSA: 66.76

Patterns:

ID 2097 DB Docking_panel_21
2D structure

OHD_Leishmania_402

ID 2097

CC1=C[C@@](O)(C[C@@H](C)[C@]2(C)CC=C3C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)OC1=O

Formula: C30H44O4

MW: 468.68 | LogP: 6.09

TPSA: 66.76

Patterns:

ID 2108 DB Docking_panel_21
2D structure

OHD_Leishmania_404

ID 2108

CC1=C[C@](O)(C[C@@H](C)[C@@]2(C)CC=C3C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)OC1=O

Formula: C30H42O4

MW: 466.66 | LogP: 6.30

TPSA: 63.60

Patterns:

ID 2277 DB Docking_panel_21
2D structure

OHD_TbNat_137

ID 2277

COC(=O)C1=CO[C@@H](O)[C@H]2[C@@H](C)[C@@H](OC(=O)/C=C/c3ccc(O)cc3)C[C@H]12

Formula: C20H22O7

MW: 374.39 | LogP: 1.99

TPSA: 102.29

Patterns:

ID 2356 DB Docking_panel_21
2D structure

OHD_TbNat_137

ID 2356

COC(=O)C1=CO[C@@H](O)[C@H]2[C@@H](C)[C@@H](OC(=O)/C=C/c3ccc(O)cc3)C[C@@H]12

Formula: C20H22O7

MW: 374.39 | LogP: 1.99

TPSA: 102.29

Patterns:

ID 2417 DB Docking_panel_21
2D structure

OHD_TbNat_137

ID 2417

COC(=O)C1=CO[C@H](O)[C@@H]2[C@@H](C)[C@H](OC(=O)/C=C/c3ccc(O)cc3)C[C@H]12

Formula: C20H22O7

MW: 374.39 | LogP: 1.99

TPSA: 102.29

Patterns:

ID 2583 DB Docking_panel_21
2D structure

OHD_TbNat_137

ID 2583

COC(=O)C1=CO[C@@H](O)[C@H]2[C@H](C)[C@H](OC(=O)/C=C/c3ccc(O)cc3)C[C@H]12

Formula: C20H22O7

MW: 374.39 | LogP: 1.99

TPSA: 102.29

Patterns:

ID 3069 DB Docking_panel_21
2D structure

OHD_Leishmania_402

ID 3069

CC1=C[C@@](O)(C[C@@H](C)[C@@]2(C)CC=C3C4=CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)OC1=O

Formula: C30H44O4

MW: 468.68 | LogP: 6.09

TPSA: 66.76

Patterns:

ID 3307 DB Docking_panel_21
2D structure

OHD_Leishmania_402

ID 3307

CC1=C[C@@](O)(C[C@@H](C)[C@@]2(C)CC=C3C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)OC1=O

Formula: C30H44O4

MW: 468.68 | LogP: 6.09

TPSA: 66.76

Patterns:

ID 3337 DB Docking_panel_21
2D structure

OHD_Leishmania_403

ID 3337

CC1=C[C@@](O)(C[C@H](C)[C@@]2(C)CC[C@H]3C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)C4=CC[C@@]32C)OC1=O

Formula: C30H44O4

MW: 468.68 | LogP: 6.09

TPSA: 66.76

Patterns: