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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
[(2R,3S,4S,5R,6S)-5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]-3,4-dihydroxyoxan-2-yl]methyl acetate
532.40
0.4
6
13
213.42
7
2'',6''-Diacetylorientin
532.40
0.4
6
13
213.42
7
[(2R,3S,4S,5R,6S)-5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-3,4-dihydroxyoxan-2-yl]methyl acetate
532.40
0.4
6
13
213.42
7
[2-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate
490.40
0.4
7
12
207.35
5
[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate
490.40
0.4
7
12
207.35
5
2''-Acetylorientin
490.40
0.4
7
12
207.35
5
[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate
490.40
0.4
7
12
207.35
5
Androstan-17-one, 3-ethyl-3-hydroxy-, (5alpha)-
318.50
4.4
1
2
37.3
1
2-Triacontanone
436.80
14.4
0
1
17.07
27
Artonin C
678.70
7.6
8
10
195.98
9
(2E)-1-[3-[(1S,5S,6R)-6-[2,4-Dihydroxy-3-[(1E)-3-methyl-1-buten-1-yl]benzoyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)-2-propen-1-one
678.70
7.6
8
10
195.98
9
Artonin D
676.70
7.2
7
10
184.98
7
(2E)-3-(2,4-Dihydroxyphenyl)-1-[3-[(1S,5S,6R)-5-(2,4-dihydroxyphenyl)-6-[(5-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)carbonyl]-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl]-2-propen-1-one
676.70
7.2
7
10
184.98
7
4-[(2R,3R,4R,5R)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,2-diol
300.30
3.4
3
4
69.92
2
8-(4-Hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
328.40
4.5
2
4
58.92
3
[(1R,2S,4aS,5R,6R,8aR)-5,6-dihydroxy-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl] acetate
296.40
2.2
2
4
66.76
3
Siderone
302.50
3.7
1
2
37.3
1
3-(3,4-Dihydroxyphenyl)-1-(4-hydroxy-2-methoxyphenyl)prop-2-en-1-one
286.28
2.6
3
5
86.99
4
1-Methyl-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol
202.29
4.3
1
1
20.23
1
(R)-5,6,7,8-Tetrahydro-3-hydroxy-7-isopropenyl-1-naphthalenecarbaldehyde
216.27
3.4
1
2
37.3
2
2-Hydroxyplatyphyllide
230.26
2.9
1
3
46.53
1
CID 14681768
230.26
2.9
1
3
46.53
1
4-Hydroxy-1,4a-dimethyl-7-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
234.33
2.6
1
2
37.3
1
Ligucyperonol
234.33
2.6
1
2
37.3
1
(3R,4R)-4-[(3,4-dihydroxyphenyl)methyl]-3-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one
358.40
3.3
2
6
85.22
6
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