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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1R,3aR,5aR,5bR,7aS,9S,11R,11aS,11bS,12R,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-9,11,12-triol
|
458.70
|
7.6
|
3
|
3
|
60.69
|
1
|
|
|
2,6-Dihydroxy-8-methoxy-10,11-dioxa-benzo[b]fluoren-5-one
|
298.25
|
3.5
|
2
|
6
|
93.04
|
1
|
|
|
7,3',5'-Trihydroxyflavanone
|
272.25
|
1.8
|
3
|
5
|
86.99
|
1
|
|
|
(1R,3aS,5aR,5bR,7aR,8S,9R,11aR,11bR,13aR,13bR)-9-acetyloxy-1-(3-hydroxyprop-1-en-2-yl)-5a,5b,8,11a-tetramethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a,8-dicarboxylic acid
|
544.70
|
6.2
|
3
|
7
|
121.13
|
6
|
|
|
(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R,5S)-2,3,6-trihydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
|
510.70
|
-0.3
|
7
|
8
|
158.68
|
6
|
|
|
6-Hydroxymethyleugenin
|
236.22
|
1.2
|
2
|
5
|
79.9
|
2
|
|
|
Chamaechromone
|
542.50
|
4.9
|
7
|
10
|
188.89
|
6
|
|
|
(E,E,E)-7-carboxy-3,11,15-trimethyl-2,6,10,14-hexadecatetraen-1-ol
|
320.50
|
5.3
|
2
|
3
|
57.53
|
11
|
|
|
(3R,3aR,5aR,5bR,7aR,11aS,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene
|
410.70
|
10.5
|
0
|
0
|
0
|
1
|
|
|
Fern-9(11)-en-12-one
|
424.70
|
9.4
|
0
|
1
|
17.07
|
1
|
|
|
11-Pentacosanone
|
366.70
|
11.4
|
0
|
1
|
17.07
|
22
|
|
|
(-)-Maalioxide
|
222.37
|
4.1
|
0
|
1
|
9.23
|
0
|
|
|
[(1R,3S,4aS,6aS,6bR,8aR,11R,12S,12aR,14bS)-1-hydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a-dodecahydro-1H-picen-3-yl] octadecanoate
|
707.20
|
16.7
|
1
|
3
|
46.53
|
18
|
|
|
Agallochin O
|
332.50
|
4.5
|
1
|
3
|
46.53
|
6
|
|
|
Leptanthine
|
315.36
|
-1.8
|
4
|
7
|
110.46
|
6
|
|
|
Chlorophyll a
|
893.50
|
|
0
|
9
|
123.65
|
22
|
|
|
3-O-(E)-p-Coumaroylbetulin
|
588.90
|
10.6
|
2
|
4
|
66.76
|
6
|
|
|
Agrostophyllinone
|
438.70
|
9.4
|
0
|
1
|
17.07
|
5
|
|
|
methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17S)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,10-dioxo-11-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate
|
652.60
|
0.2
|
5
|
15
|
224.81
|
7
|
|
|
methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17S)-3-[(E)-4-acetyloxy-3,4-dimethylpent-2-enoyl]oxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate
|
738.70
|
0.1
|
5
|
17
|
251.11
|
10
|
|
|
(+)-pinoresinol di-O-beta-d-glucopyranoside
|
682.70
|
-1.3
|
8
|
16
|
235.68
|
10
|
|
|
5-Hydroxy-3-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
|
594.60
|
6.4
|
2
|
10
|
137.8
|
7
|
|
|
Methyl 6,7-didehydro-2,20-cycloaspidospermidine-3-carboxylate
|
336.40
|
2.9
|
1
|
4
|
41.57
|
2
|
|
|
3-[(4-Hydroxyphenyl)methyl]-1-phenylpyrrole-2,5-dione
|
279.29
|
2.6
|
1
|
3
|
57.61
|
3
|
|
|
(E,4S)-4-hydroxy-N-(2-methylpropyl)hex-2-enamide
|
185.26
|
1.4
|
2
|
2
|
49.33
|
5
|
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