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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
1-Methyl-2-methylenecyclohexane
|
110.20
|
2.9
|
0
|
0
|
0
|
0
|
|
|
2-(3,4-Dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
|
343.40
|
3.2
|
0
|
5
|
40.16
|
6
|
|
|
Arctinal
|
232.30
|
3.6
|
0
|
3
|
73.55
|
3
|
|
|
[2-[[(4aR)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate
|
586.50
|
2.4
|
6
|
13
|
201.67
|
8
|
|
|
(1'R,2'S,3S,5'R,6'S,8'S)-2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one
|
322.40
|
1.8
|
1
|
3
|
41.57
|
1
|
|
|
[(3R,7S,10R,11S,16R)-6-acetyl-8-acetyloxy-14-[5-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-9-yl] benzoate
|
815.00
|
3.5
|
2
|
14
|
178.04
|
12
|
|
|
methyl (1R,9S,11S,15R,17R,19R)-19-(acetyloxymethyl)-14-ethylidene-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3,5,7-triene-19-carboxylate
|
410.50
|
1.8
|
1
|
7
|
77.1
|
5
|
|
|
(1R,12S)-15-ethylidene-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-7-ol
|
310.40
|
1.7
|
3
|
3
|
59.49
|
1
|
|
|
Macrocarpal AM 1
|
486.60
|
4.8
|
3
|
7
|
128.97
|
10
|
|
|
(1R,3R,6S,7R)-3-hydroxy-10-(4-hydroxy-3-methoxyphenyl)-8-(3,5,7-trihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
|
482.40
|
0.8
|
5
|
10
|
162.98
|
3
|
|
|
3-[[(2S,3aS,7aR)-2-hydroxy-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridin-2-yl]methyl]quinazolin-4-one
|
301.34
|
0.4
|
2
|
5
|
76.38
|
2
|
|
|
(1R,2R,7S,10R,13R,14R,20S)-19-(2-hydroxy-5-oxo-2H-furan-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,12,17-trione
|
502.50
|
0
|
1
|
10
|
137.96
|
1
|
|
|
[(1S,8S)-2,7,13-triacetyloxy-10-hydroxy-8,12,15,15-tetramethyl-9-oxo-5-tricyclo[9.3.1.14,8]hexadeca-3,11-dienyl] 3-phenylprop-2-enoate
|
622.70
|
3.3
|
1
|
10
|
142.5
|
10
|
|
|
(3aS,6aS)-3,6-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
|
386.40
|
2.9
|
0
|
6
|
55.38
|
6
|
|
|
[(4aR,7R,7aS)-6-acetyloxy-1-(3-methylbutanoyloxy)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl 3-methylbutanoate
|
424.50
|
2.3
|
0
|
8
|
100.66
|
11
|
|
|
[9,16,21,22-Tetrahydroxy-5-(hydroxymethyl)-13,20,25-trimethyl-4,24-dioxo-3,23-dioxanonacyclo[14.10.1.02,6.02,14.08,13.010,12.017,19.020,27.022,26]heptacosa-1(27),5,25-trien-9-yl]methyl 2-methylbut-2-enoate
|
636.70
|
-0.5
|
5
|
11
|
180.05
|
5
|
|
|
7-Methoxy-8-[(1Z)-3-methylbuta-1,3-dien-1-YL]chromen-2-one
|
242.27
|
3.9
|
0
|
3
|
39.44
|
3
|
|
|
Methyl 2-[3-(3,7-dimethylocta-2,6-dienyl)-2,5-dihydroxyphenyl]acetate
|
318.40
|
4.8
|
2
|
4
|
66.76
|
8
|
|
|
10-Hydroxy-3-methyl-9-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxybenzo[g]isochromen-1-one
|
566.50
|
-0.6
|
8
|
14
|
228.97
|
6
|
|
|
5-Hydroxy-3-(4-hydroxyphenyl)-6,7-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one
|
610.50
|
-1.3
|
10
|
16
|
269.43
|
7
|
|
|
6-[6-carboxy-4,5-dihydroxy-2-[[4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-14-oxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
1001.10
|
0.7
|
12
|
22
|
366.42
|
11
|
|
|
Soyosaponin Ac
|
1421.50
|
-0.2
|
13
|
32
|
477.56
|
22
|
|
|
5-(3,4-Dimethoxyphenyl)-6,7-bis(methoxymethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole
|
400.50
|
3.6
|
0
|
6
|
55.38
|
7
|
|
|
Hyperectine
|
447.40
|
1.6
|
2
|
8
|
112.35
|
1
|
|
|
11-Hydroxy-10-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
648.90
|
8.8
|
3
|
7
|
113.29
|
6
|
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