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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
5,7,3',4'-Tetrahydroxy-6-geranylflavonol
438.50
5.9
5
7
131.36
6
19-Methoxy-2,15-dioxapentacyclo[22.2.2.13,7.110,14.016,21]triaconta-1(26),3,5,7(30),10(29),11,13,16(21),17,19,24,27-dodecaen-4-ol
438.50
7.1
1
4
47.92
1
Dammarenediol II
444.70
8.5
2
2
40.46
4
(2R,3R,4S,5S,6R)-2-[(3R,5R)-5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
478.50
1.7
7
9
160.07
11
Lactucain A
504.60
2.2
0
7
95.97
2
(2R,3R,4S,5S,6R)-2-[(3R,5R)-1,7-bis(3,4-dihydroxyphenyl)-5-hydroxyheptan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
510.50
1
9
11
200.53
11
5,3',4'-Trihydroxy-3-methoxy-6:7-methylenedioxyflavone 4'-O-glucuronide
520.40
1.1
6
14
214.81
5
(2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
522.40
0.9
7
14
225.81
6
[(2R,3S,4S,5R,6S)-6-[[(1S,4aS,5R,7S,7aR)-4a,5,7-trihydroxy-7-methyl-1,5,6,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (Z)-3-(4-methoxyphenyl)prop-2-enoate
524.50
-1.2
6
12
184.6
8
(E,6S)-6-[(2R,5S)-5-[(2R,5R)-5-[(2S,5R)-5-[(E,2S)-6-hydroperoxy-2-hydroxy-6-methylhept-4-en-2-yl]-2-methyloxolan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-2-methylhept-3-ene-2,6-diol
540.70
2.6
4
8
117.84
11
muricin D
568.80
7.7
4
7
116.45
24
[(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] 3,4,5-trihydroxybenzoate
600.50
1
10
15
268.04
6
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxan-2-yl]methyl 4-hydroxybenzoate
642.60
2.1
6
15
224.04
10
(1S,5E,7E,9R,10R,11R,12S,13R,14R,18S,19R,20S,24R,28S,29R,30R)-10-ethenyl-24,29-dihydroxy-22-(hydroxymethyl)-18,26,30-trimethyl-12-[(1E,3E,5E)-nona-1,3,5-trienyl]-2,16-dioxaheptacyclo[16.13.0.01,19.09,14.011,13.020,29.024,28]hentriaconta-5,7,21,26-tetraene-3,15,25-trione
710.90
5.8
3
8
130.36
7
Kdrjmjvsppnkcb-hnwyzlhxsa-
1311.20
0.9
12
31
457.33
30
(2R,3R,4S,5S,6R)-2-[(2R)-4-[(1S,2S,4S,6R,7S,8R,9S,12S,13R,15R,16R)-16-[(2R,3R,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-hydroxy-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
1405.50
-5.8
20
34
533.82
22
Capsicoside E
1435.50
-5
21
35
554.05
23
(5S)-2-Methyl-5-(1-methylethenyl)-1,3-cyclohexadiene
134.22
3.3
0
0
0
1
(2S,4R)-4-hydroxypiperidine-2-carboxylic acid
145.16
-3
3
4
69.56
1
(1R,2R)-1-ethenyl-2-[(E)-hex-1-enyl]cyclopropane
150.26
4.1
0
0
0
5
(3S)-2,2-dimethyl-3-[(2E)-3-methylpenta-2,4-dienyl]oxirane
152.23
2.9
0
1
12.53
3
rel-(4R,4aS,7S,7aR)-Hexahydro-4,7-dimethylcyclopenta[c]pyran-3(1H)-one
168.23
2.6
0
2
26.3
0
Isoboonein
170.21
0.6
1
3
46.53
0
5-Methoxycoumarin
176.17
1.9
0
3
39.44
1
trans-Chrysanthenyl acetate
194.27
2.3
0
2
26.3
2
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