Table 2 Screened compounds based on E-pharmacophore feature mapping.
Screened compounds | PubChem CID | Features |
---|---|---|
OdDHL | 3,246,941 | A(1) A(4) D(5) H(7) H(6) |
HHL | 10,058,590 | A(1) A(3) D(4) H(-) H(-) |
BHL | 10,130,163 | A(1) A(3) D(4) H(-) H(-) |
Moupinamide | 5,280,537 | A(-) A(2) D(7) H(8) H(-) |
Methylenedioxybenzoyl ethyl PABA | 785,868 | A(1) A(4) D(6) H(7) H(-) |
Kinetin riboside | 20,345 | A(8) A(3) D(12) H(-) H(-) |
5-Hydroxy-6,7,4'-trimethoxyisoflavone | 10,830,108 | A(3) A(-) D(-) H(9) H(8) |
Capsaicin | 1,548,943 | A(1) A(2) D(-) H(7) H(9) |
Saussureamine C | 9,998,735 | A(2) A(5) D(9) H(-) H(10) |
6-Gingerol | 442,793 | A(2) A(3) D(-) H(-) H(8) |
Irisolidone | 5,281,781 | A(6) A(5) D(-) H(10) H(-) |
Chrysoeriol | 5,280,666 | A(2) A(3) D(-) H(-) H(10) |
4'-O-Methylkievitone | 44,257,389 | A(2) A(3) D(-) H(10) H(13) |
Jaceosidin | 5,379,096 | A(3) A(4) D(-) H(-) H(12) |
N-Benzoyl-L-phenylalaninol | 100,005 | A(1) A(2) D(4) H(-) H(-) |
Batatifolin | 5,320,181 | A(2) A(3) D(-) H(-) H(12) |
Broussonin C | 442,289 | A(3) A(2) D(-) H(7) H(10) |
Ursolic acid | 64,945 | A(-) A(2) D(-) H(11) H(13) |
Gancaonin P 3'methyl ether | 5,317,483 | A(1) A(6) D(-) H(12) H(15) |
Dihydrozeatin riboside | 10,522,005 | A(6) A(2) D(9) H(15) H(14) |
Chavicine | 1,548,912 | A(-) A(2) D(-) H(4) H(5) |
Lupinalbin C | 14,309,762 | A(7) A(5) D(-) H(-) H(11) |
Ovalitenone | 627,910 | A(2) A(5) D(-) H(-) H(8) |
Licoisoflavone B | 5,481,234 | A(6) A(5) D(-) H(10) H(12) |
Chlorogenic Acid.1 | 1,794,427 | A(2) A(7) D(10) H(-) H(-) |
Silibinin.1 | 31,553 | A(9) A(7) D(-) H(16) H(-) |
Gancaonin I | 480,777 | A(5) A(4) D(-) H(12) H(10) |
BavachalconeCID_6450879.1 | 6,450,879 | A(-) A(1) D(6) H(8) H(10) |
Bavachin | 14,236,566 | A(4) A(1) D(-) H(8) H(9) |
gallic acid_CID_370.1 | 370 | A(1) A(3) D(8) H(-) H(-) |
(-)-Epicatechin | 72,276 | A(3) A(1) D(7) H(-) H(-) |
( +)-Isofebrifugine | 11,208,839 | A(4) A(2) D(6) H(-) H(-) |
Leucopelargonidin | 3,286,789 | A(4) A(1) D(7) H(-) H(-) |
Glycyrrhisoflavone | 5,317,764 | A(6) A(2) D(-) H(12) H(13) |
Zingerone | 31,211 | A(2) A(1) D(4) H(-) H(-) |
Moracin C | 155,248 | A(4) A(1) D(-) H(8) H(10) |
Lupiwighteone | 5,317,480 | A(-) A(4) D(-) H(9) H(11) |
Malvidin_min.1 | 159,287 | A(5) A(6) D(-) H(12) H(-) |
Ferulic acid_CID_445858.1 | 445,858 | A(-) A(3) D(6) H(7) H(-) |
6-shogaol.1 | 5,281,794 | A(1) A(-) D(4) H(7) H(6) |
( +)-Alangimaridine | 10,853,265 | A(-) A(2) D(5) H(9) H(7) |
Resveratrol.1 | 445,154 | A(-) A(2) D(6) H(-) H(7) |
Licoflavonol | 5,481,964 | A(6) A(-) D(9) H(11) H(13) |
Ajoene | 5,386,591 | A(-) A(-) D(-) H(2) H(3) |
Arachidin-3 | 11,380,920 | A(1) A(2) D(-) H(-) H(-) |
Ellagic acid | 5,281,855 | A(7) A(3) D(-) H(-) H(-) |
Curcumin | 969,516 | A(2) A(-) D(8) H(-) H(-) |
7,4'-Dihydroxyflavan | 158,280 | A(-) A(-) D(5) H(-) H(6) |
Dihydrobaicalein | 9,816,931 | A(5) A(1) D(-) H(-) H(-) |
Equol | 91,469 | A(-) A(3) D(-) H(-) H(6) |
Nb-p-Coumaroyltryptamine | 5,458,878 | A(2) A(-) D(-) H(-) H(6) |
Barbaloin | 12,305,761 | A(-) A(-) D(13) H(-) H(17) |
1,3,8-Trihydroxy-5-methoxy-xanthen-9-one | 5,322,042 | A(-) A(-) D(9) H(10) H(-) |
taxifolin_min.1 | 439,533 | A(3) A(-) D(8) H(-) H(-) |
caffeine_min.1 | 2519 | A(1) A(2) D(-) H(-) H(-) |
Anhydroglycinol | 442,667 | A(-) A(3) D(-) H(-) H(7) |
Cianidanol | 9064 | A(4) A(2) D(-) H(-) H(-) |
caffeic acid | 689,043 | A(-) A(4) D(5) H(-) H(-) |
Baicalein | 5,281,605 | A(1) A(2) D(-) H(-) H(-) |
Kaempferol | 5,280,863 | A(1) A(2) D(-) H(-) H(-) |
Galangin | 5,281,616 | A(1) A(2) D(-) H(-) H(-) |
Apigenin | 5,280,443 | A(1) A(2) D(-) H(-) H(-) |
Chrysin | 5,281,607 | A(1) A(2) D(-) H(-) H(-) |
Fisetin | 5,281,614 | A(-) A(4) D(9) H(-) H(-) |
Epicatechin gallate | 107,905 | A(9) A(-) D(15) H(-) H(-) |
Liquiritigenin | 114,829 | A(4) A(1) D(-) H(-) H(-) |
7-Hydroxyflavanone | 1890 | A(3) A(2) D(-) H(-) H(-) |
Dihydronorwogonin | 42,608,113 | A(-) A(5) D(6) H(-) H(-) |