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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(3S,5R,8R,9R,10R,13R,14R,17S)-17-[4-[(2R)-3,3-dimethyloxiran-2-yl]but-1-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
|
484.80
|
9.2
|
0
|
3
|
38.83
|
6
|
|
|
di-O-isopropylmangostin
|
494.60
|
8.5
|
1
|
6
|
78.13
|
9
|
|
|
N-[2-(1H-indol-3-yl)ethyl]tricosanamide
|
496.80
|
12.9
|
2
|
1
|
44.89
|
24
|
|
|
(1R,2R,5S,6R,8R,11R,15R,18S,19S)-5-[(2R)-2-hydroxy-6-methyl-4-oxohept-5-en-2-yl]-1,2,14,14,19-pentamethyl-9,12-dioxapentacyclo[9.6.2.02,6.08,18.015,19]nonadecane-10,13-dione
|
500.70
|
5.9
|
1
|
6
|
89.9
|
4
|
|
|
(1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-3a-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-N-methyl-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide
|
507.50
|
2.3
|
4
|
8
|
126.71
|
6
|
|
|
methyl 2-[(1R,5S,6R,9R,10R,13S,14R,16R)-13-[(E)-6-hydroxy-6-methyl-4-oxohept-2-en-2-yl]-5,9,10-trimethyl-3-oxo-2-oxatetracyclo[7.6.1.05,16.010,14]hexadecan-6-yl]-2-methylpropanoate
|
516.70
|
5.9
|
1
|
6
|
89.9
|
7
|
|
|
methyl (2S)-2-[(1S,2R,6R,7R,10R,11S,12S,15R,16R)-6-(furan-3-yl)-15,16-dihydroxy-7,11,13,13-tetramethyl-4,14-dioxo-5,17-dioxapentacyclo[13.2.1.01,10.02,7.011,16]octadecan-12-yl]-2-hydroxyacetate
|
518.60
|
0.8
|
3
|
10
|
152.73
|
4
|
|
|
cypellocarpin C
|
520.50
|
1.4
|
5
|
11
|
176.12
|
7
|
|
|
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(2R,3S)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]oxane-3,4,5-triol
|
522.50
|
0.3
|
6
|
11
|
167.53
|
10
|
|
|
(+)-Isolariciresinol-3I+/--O-I(2)-D-glucopyranoside
|
522.50
|
0.5
|
7
|
11
|
178.53
|
8
|
|
|
Gemichalcone C
|
532.50
|
5.8
|
5
|
9
|
153.75
|
11
|
|
|
methyl (1R,3aS,4S,5R,8R,9aR)-8-[(1R,3aS,4R,7aR)-7a-methoxycarbonyl-1,3a,4-trimethyl-7-oxo-1,2,3,4-tetrahydroinden-5-yl]-5-hydroxy-1,3a,4-trimethyl-9-oxo-1,2,3,4,5,6,7,8-octahydrocyclopenta[b]naphthalene-9a-carboxylate
|
540.70
|
4.8
|
1
|
7
|
106.97
|
5
|
|
|
(2R,3R,4S,5S,6R)-2-[(1S,2R)-1,5-bis(3,4-dimethoxyphenyl)-1-methoxypent-4-yn-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
548.60
|
1.6
|
4
|
11
|
145.53
|
12
|
|
|
(3R)-3-[4-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]-8-hydroxy-3,4-dihydroisochromen-1-one
|
550.50
|
-0.4
|
7
|
13
|
204.83
|
7
|
|
|
(3S,4S,7S,10S)-7-benzyl-4-[(2-hydroxy-4-methylpentanoyl)amino]-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-triene-10-carboxylic acid
|
553.60
|
4.1
|
5
|
7
|
154.06
|
8
|
|
|
Rocaglamide I
|
563.60
|
2.5
|
2
|
9
|
123.99
|
8
|
|
|
(E)-8-[2-[(2S,3E,4S)-3-ethylidene-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-4-yl]acetyl]oxy-2,6-dimethyloct-2-enoic acid
|
572.60
|
0.7
|
5
|
13
|
198.51
|
15
|
|
|
Cohibin D
|
576.90
|
13.9
|
2
|
4
|
66.76
|
30
|
|
|
(2S)-7-hydroxy-8-[(E,1R,5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hept-2-enyl]-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one
|
582.60
|
5.8
|
5
|
8
|
136.68
|
10
|
|
|
(5S)-3-[(2R,13R)-2,13-Dihydroxy-8-oxo-13-[(2R,5S)-tetrahydro-5-[(1S)-1-hydroxytridecyl]-2-furanyl]tridecyl]-5-methyl-2(5H)-furanone
|
594.90
|
7.9
|
3
|
7
|
113.29
|
26
|
|
|
Squamocin B
|
594.90
|
8.4
|
3
|
7
|
105.45
|
23
|
|
|
[(1R,2R,4R,6S,8R,11R,12S,13R,16R,17R,19S,20R)-17-acetyloxy-8-(furan-3-yl)-12-hydroxy-4-methoxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.02,11.06,10.016,20]icos-9-en-19-yl] (E)-2-methylbut-2-enoate
|
598.70
|
3.8
|
1
|
9
|
113.66
|
7
|
|
|
[(2R,3S,4S,5S,6R)-4,5-dihydroxy-2-[5-hydroxy-7-methoxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy-6-methyloxan-3-yl] 3,4,5-trihydroxybenzoate
|
630.50
|
2
|
9
|
16
|
266.27
|
7
|
|
|
(3S,4S,4aS,5R,6R,6aS,7R,11aS,11bR)-3-acetyloxy-5,6-dibenzoyloxy-4a-hydroxy-4,7,11b-trimethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-4-carboxylic acid
|
630.70
|
5.9
|
2
|
10
|
149.57
|
9
|
|
|
[(2R,3S,4S,5R,6S)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate
|
636.60
|
-0.4
|
7
|
16
|
244.27
|
10
|
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