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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
ulexone A
404.50
5.9
2
5
79.9
3
Ulexone B
402.40
5.2
1
5
68.9
1
Ulexone C
420.50
4.3
2
6
89.13
2
Ulexone D
418.40
4.2
2
6
89.13
2
(5S,5aR,8aS,9R)-5-hydroxy-4-methoxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
444.40
2
1
9
101.91
5
[(5R,5aR,8aR,9R)-4-methoxy-8-oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl] acetate
486.50
2.6
0
10
107.98
7
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
446.40
0.5
6
10
170.05
4
5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
608.50
-1.9
10
15
260.2
6
5,7-Dimethoxy-6-methylflavanone
298.30
3.2
0
4
44.76
3
(2S)-5-hydroxy-7-methoxy-6-methyl-2-phenyl-2,3-dihydrochromen-4-one
284.31
3.4
1
4
55.76
2
Pityrogrammin
314.29
3.2
3
6
100.13
2
Genistein 5-glucoside
432.40
0.3
6
10
170.05
4
7-hydroxy-3-(4-hydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
432.40
0.3
6
10
170.05
4
(1S,2Z,7R,8R,9R)-2-butylidene-9-propylspiro[3-oxatricyclo[5.2.2.01,5]undec-5-ene-8,3'-4,5-dihydro-2-benzofuran]-1',4-dione
380.50
4.7
0
4
52.6
4
Ixoric acid
276.40
5.9
1
2
37.3
12
(3,4,7-triacetyloxy-6-oxo-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-2-yl) acetate
477.40
0.7
1
11
152.76
8
(3aS,5aR,6R,8aR)-6-[(E,2R,5S)-5,6-dimethylhept-3-en-2-yl]-3a-methoxy-5a-methyl-4,5,6,7,8,8a-hexahydrocyclopenta[e][1]benzofuran-2-one
346.50
5.1
0
3
35.53
5
Kstmmfcurgnhnw-uhfffaoysa-
508.50
5.1
5
8
152.36
1
Pkzlcdiefsfxdk-vhmdkqfxsa-
901.00
-1.4
8
19
279.05
12
16-Anhydro Digitalin
694.80
0.8
6
13
193.83
7
Cyclobrassinin sulfoxide
250.30
1.9
1
4
89.73
1
7-[(1E)-3-methylbuta-1,3-dienoxy]chromen-2-one
228.24
3.7
0
3
39.44
3
4',5-Dihydroxy-7,8-dimethoxyflavone
314.29
2
2
6
89.13
3
Flavylium
207.25
0
0
11.3
1
5,13-bis(4-hydroxyphenyl)-7-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
816.80
4.4
11
15
259.45
4
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