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SCFBio, IIT Delhi Hauz Khas, New Delhi

Chemical Library

Physicochemical properties (MW, LogP) of all entries.

Total Rows 105,909
Pages 4,237
BIMP_ID Name Mol Weight LogP HBD HBA TPSA Rotatable Bonds
Peroxymurraol
276.28
2.3
1
5
68.9
4
[4-(7-Methoxy-2-oxochromen-8-yl)-2-methyl-3-oxobutan-2-yl] 3-methylbutanoate
360.40
3.3
0
6
82.81
8
Shisonin B
757.70
11
17
297.05
11
Fisetinidol-(4A8)-catechin
562.50
2.7
9
11
200.53
3
4'-o-Methylepicatechin
304.29
0.7
4
6
99.38
2
3'-O-Methylcatechin
304.29
0.7
4
6
99.38
2
2-Butan-2-yl-9-ethenyl-9-methyl-1,7-dioxaspiro[4.4]non-2-ene-4,6-dione
250.29
2.7
0
4
52.6
3
Kuwanon X
582.60
5.8
8
9
178.91
6
(2,4-Dihydroxyphenyl)-[(1R,2S,6S)-6-(2,4-dihydroxyphenyl)-2-[4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl]-4-methylcyclohex-3-en-1-yl]methanone
582.60
5.8
8
9
178.91
6
[(1R,2R,6S)-2-[2,6-dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-en-1-yl]-(2,4-dihydroxyphenyl)methanone
580.60
6
7
9
171.82
5
[(1R,2S,6S)-2-[2,6-dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-en-1-yl]-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]methanone
648.70
7.9
7
9
171.82
7
1-[2,4-Dihydroxy-3-(3-methylbut-2-enyl)phenyl]-17-(6-hydroxy-1-benzofuran-2-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,11,14,16,18-heptaene-5,15-diol
630.70
7.9
5
8
132.75
4
Kuwanol A
564.60
5.8
6
8
139.84
3
4-Methyl-2-heptanol
130.23
2.7
1
1
20.23
4
3,7,14-Trihydroxy-18,18-dimethyl-11-(3-methylbut-2-enyl)-2,10,17-trioxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),4(9),5,7,14,16(21),19-heptaen-12-one
436.50
4.6
3
7
105.45
2
4-[6-(2,4-Dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-1,3,5a,8-tetrahydroxy-10a-(3-methylbut-2-enyl)-[1]benzofuro[3,2-b]chromen-11-one
708.70
6.3
8
12
214.44
6
Ermanin 7-glucoside
476.40
1.4
5
11
168.28
6
5-Hydroxy-2-(4-methoxyphenyl)-3,7-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one
624.50
-0.8
9
16
258.43
8
Kaempferol 3,7,4'-O-triglucoside
772.70
-2.9
13
21
348.58
10
5-Hydroxy-2-(4-hydroxyphenyl)-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-3-(3,4,5-trihydroxyoxan-2-yl)oxychromen-4-one
564.50
-0.5
8
14
228.97
5
[6-[[6-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl hydrogen sulfate
690.60
-2.4
10
19
321.18
9
5-Hydroxy-2-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
608.50
-0.3
8
15
238.2
7
5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
580.50
-1.4
9
15
249.2
6
5-Hydroxy-2-(4-methoxyphenyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
608.50
-0.3
8
15
238.2
7
CID 14334937
444.40
0.8
4
10
148.05
4
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