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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1S,4aR,5S,8aR)-1,4a-dimethyl-6-methylidene-5-(3-methylidenepent-4-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
|
302.50
|
6
|
1
|
2
|
37.3
|
5
|
|
|
phytocassane D
|
316.40
|
3.3
|
1
|
3
|
54.37
|
1
|
|
|
2-Hydroxy-6-methylbenzoic acid
|
152.15
|
1.9
|
2
|
3
|
57.53
|
1
|
|
|
(2S,4R,4aS,7aS,8R,10aS,11aR,11bS)-4-(hydroxymethyl)-4,7a,11b-trimethyl-2,3,4a,5,6,8,9,10a,11,11a-decahydro-1H-naphtho[2,1-f][1]benzofuran-2,8-diol
|
336.50
|
1.8
|
3
|
4
|
69.92
|
1
|
|
|
Isochrysotricine
|
338.40
|
2.8
|
1
|
3
|
47.28
|
3
|
|
|
(3R,3aS)-3-[(3S)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-3a,4,5,6-tetrahydro-3H-2-benzofuran-1-one
|
372.40
|
0.4
|
4
|
8
|
125.68
|
6
|
|
|
Isothebaine
|
311.40
|
2.6
|
1
|
4
|
41.93
|
2
|
|
|
2-[(2R)-4-methoxy-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-9-ium-2-yl]propan-2-ol
|
274.33
|
2.6
|
1
|
3
|
42.57
|
2
|
|
|
(2S)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chromen-6-ol
|
414.70
|
10.3
|
1
|
2
|
29.46
|
12
|
|
|
Aspalathin
|
452.40
|
-0.2
|
9
|
11
|
208.37
|
6
|
|
|
2,4-Bis-(4-hydroxy-benzyl)-3-[2-(3-hydroxy-phenyl)-ethyl]-5-methoxy-phenol
|
456.50
|
6.5
|
4
|
5
|
90.15
|
8
|
|
|
(1S,3S,5R,6R,8R,11S,12S,15S,16R)-15-[(3R)-3-hydroxy-6-methylhepta-1,6-dien-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-5,6-diol
|
456.70
|
7.6
|
3
|
3
|
60.69
|
5
|
|
|
caesalpinin E
|
462.50
|
3
|
1
|
8
|
112.27
|
6
|
|
|
3,7-Dihydroxy-2,5-diundecylnaphthoquinone
|
498.70
|
11.8
|
2
|
4
|
74.6
|
20
|
|
|
(1S,4aR,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-8-oxo-3,4,5,6,6a,7,8a,10,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
|
502.70
|
3.8
|
4
|
6
|
115.06
|
2
|
|
|
[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl benzoate
|
508.50
|
-0.1
|
6
|
12
|
184.6
|
9
|
|
|
Pityriarubin B
|
524.50
|
4.2
|
5
|
4
|
130.84
|
3
|
|
|
Eurycomaoside
|
530.60
|
-2.2
|
8
|
12
|
206.6
|
3
|
|
|
[(3S,4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
588.90
|
11.3
|
2
|
4
|
66.76
|
4
|
|
|
guttiferone H
|
602.80
|
10.3
|
3
|
6
|
111.9
|
6
|
|
|
Calceolarioside E
|
610.60
|
-0.6
|
9
|
15
|
245.29
|
12
|
|
|
[(1R,2S,5R,6R,10S,13R,14S,16S)-16-[(1S)-1-acetyloxy-2-methoxy-2-oxoethyl]-6-(furan-3-yl)-13-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-11-en-14-yl] (E)-2-methylbut-2-enoate
|
626.70
|
3.6
|
1
|
11
|
155.64
|
9
|
|
|
[(1S,2R,4S,5R,9R,10R,13R,14S,15S,17S)-15-[(1S)-1-acetyloxy-2-methoxy-2-oxoethyl]-9-(furan-3-yl)-1-hydroxy-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4.04,13.05,10]octadecan-17-yl] (E)-2-methylbut-2-enoate
|
642.70
|
3
|
1
|
12
|
168.17
|
9
|
|
|
(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4-acetyloxy-3,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
646.80
|
5.3
|
4
|
9
|
142.75
|
6
|
|
|
(1S,2R,6R,7R,8aR)-7-hydroxy-6-[(2S,4S,5R,6R)-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8a-methyl-1-[3-(2-methylfuran-3-yl)-3-oxopropyl]-2,3,5,6,7,8-hexahydro-1H-naphthalene-2-carboxylic acid
|
780.90
|
2.1
|
4
|
15
|
202.04
|
13
|
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