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Name6-deacetylnimbinene
PubChem IDCID_102285347
StructureCloudy Sky   
Bioactivity
ChEMBL_ID
canonical_SMILESCC1=CCC(=O)C2(C1C(C3C(C2CC(=O)OC)(C4=C(C(CC4O3)C5=COC=C5)C)C)O)C
Isomeric_SMILESCC1=CCC(=O)[C@]2(C1[C@H]([C@@H]3[C@]([C@@H]2CC(=O)OC)(C4=C([C@@H](CC4O3)C5=COC=C5)C)C)O)C
Known_targets

SEA_Predictions

HitPickv2_Predictions

P07900,Q9NPD5,Q9Y6L6,P28845,P14174,P09917,P41145,P35372,P41143,P22460

SWISS Predictions

P35372,P41143,P41145,P41146,P10636,Q9NUW8,P49840,P49841,P14174,Q08257,P05129,P05771,P17252,Q04759,Q05655

Name6-deacetylnimbinene
PubChem IDCID_102285347
StructureCloudy Sky   
Bioactivity
ChEMBL_ID
canonical_SMILESCC1=CCC(=O)C2(C1C(C3C(C2CC(=O)OC)(C4=C(C(CC4O3)C5=COC=C5)C)C)O)C
Isomeric_SMILESCC1=CCC(=O)[C@]2(C1[C@H]([C@@H]3[C@]([C@@H]2CC(=O)OC)(C4=C([C@@H](CC4O3)C5=COC=C5)C)C)O)C
ChEMBL_ID

SEA ChEMBL_ID

HitPickv_chamble_ID

CHEMBL3880,CHEMBL1743121,CHEMBL1697668,CHEMBL4235,CHEMBL2085,CHEMBL215,CHEMBL237,CHEMBL233,CHEMBL236,CHEMBL4306

SWISS_Target_chamble ID

CHEMBL233,CHEMBL236,CHEMBL237,CHEMBL2014,CHEMBL1293224,CHEMBL1075138,CHEMBL2850,CHEMBL262,CHEMBL2085,CHEMBL6118,CHEMBL2938,CHEMBL3045,CHEMBL299,CHEMBL3920,CHEMBL2996

Namenimbinene
PubChem IDCID_44715635
StructureCloudy Sky   
Bioactivity
ChEMBL_ID
canonical_SMILESCC1=CCC(=O)C2(C1C(C3C(C2CC(=O)OC)(C4=C(C(CC4O3)C5=COC=C5)C)C)OC(=O)C)C
Isomeric_SMILESCC1=CCC(=O)[C@]2(C1[C@H]([C@@H]3[C@]([C@@H]2CC(=O)OC)(C4=C([C@@H](CC4O3)C5=COC=C5)C)C)OC(=O)C)C
Known_targets

SEA_Predictions

P41145

HitPickv2_Predictions

P07900,Q9NPD5,Q9Y6L6,P41145,P35372,P41143,P08172,P11229,P08173,P08912

SWISS Predictions

P41145,P35372,P41143,P41146,Q9NUW8,P10636,P14174,P49840,P49841,P05129,P05771,P17252,Q04759,Q05655,Q08257

Namenimbinene
PubChem IDCID_44715635
StructureCloudy Sky   
Bioactivity
ChEMBL_ID
canonical_SMILESCC1=CCC(=O)C2(C1C(C3C(C2CC(=O)OC)(C4=C(C(CC4O3)C5=COC=C5)C)C)OC(=O)C)C
Isomeric_SMILESCC1=CCC(=O)[C@]2(C1[C@H]([C@@H]3[C@]([C@@H]2CC(=O)OC)(C4=C([C@@H](CC4O3)C5=COC=C5)C)C)OC(=O)C)C
ChEMBL_ID

SEA ChEMBL_ID

CHEMBL237

HitPickv_chamble_ID

CHEMBL3880,CHEMBL1743121,CHEMBL1697668,CHEMBL237,CHEMBL233,CHEMBL236,CHEMBL211,CHEMBL216,CHEMBL1821,CHEMBL2035

SWISS_Target_chamble ID

CHEMBL237,CHEMBL233,CHEMBL236,CHEMBL2014,CHEMBL1075138,CHEMBL1293224,CHEMBL2085,CHEMBL2850,CHEMBL262,CHEMBL2938,CHEMBL3045,CHEMBL299,CHEMBL3920,CHEMBL2996,CHEMBL6118