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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2R,3aS,9aR)-2-(2-hydroxypropan-2-yl)-9a-(3-methylbut-2-enyl)-3,3a-dihydro-2H-benzo[f][1]benzofuran-4,9-dione
|
328.40
|
3
|
1
|
4
|
63.6
|
3
|
|
|
sphaeropsidin C
|
332.40
|
3.7
|
2
|
4
|
74.6
|
2
|
|
|
Ascaridole
|
168.23
|
2.3
|
0
|
2
|
18.46
|
1
|
|
|
(2R,3R,7Z,9S)-5-oxo-2,9-bis(prop-1-en-2-yl)-4,14-dioxatricyclo[9.2.1.13,6]pentadeca-1(13),6(15),7,11-tetraene-12-carboxylic acid
|
340.40
|
4.4
|
1
|
5
|
76.74
|
3
|
|
|
3-hydroxy-4,5,6-trimethoxyspiro[1,3-dihydroindole-2,3'-2H-isoindole]-1'-one
|
342.30
|
1.2
|
3
|
6
|
89.05
|
3
|
|
|
3-(4-Hydroxyphenyl)-5-methoxy-8,8-dimethylpyrano[2,3-h]chromen-4-one
|
350.40
|
3.7
|
1
|
5
|
68.9
|
2
|
|
|
(1S,4aS,6aS,8R,10aS,10bR)-8-ethenyl-4,4,6a,8,10b-pentamethyl-3-oxo-4a,5,6,9,10,10a-hexahydro-1H-pyrano[3,4-f]chromene-1-carboxylic acid
|
350.40
|
3.5
|
1
|
5
|
72.83
|
2
|
|
|
2-[(1R,4S,5S,6S,8R,12S)-5-(carboxymethyl)-12-hydroxy-5,12-dimethyl-4-tricyclo[6.2.2.01,6]dodec-9-enyl]-2-methylpropanoic acid
|
350.40
|
3
|
3
|
5
|
94.83
|
4
|
|
|
6'-desmethylcandidusin B
|
354.30
|
3.5
|
5
|
7
|
123.52
|
2
|
|
|
Ficuisoflavone
|
354.40
|
3
|
3
|
6
|
100.13
|
1
|
|
|
1,8-Dihydroxy-3-(3-hydroxymethyl-4-hydroxybut-2-enyloxy)-6-methylxanthone
|
358.30
|
2.1
|
4
|
7
|
120.36
|
5
|
|
|
[(1S,9S,10R,13S,14S)-14-hydroxy-5,5,9-trimethyl-6-oxo-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate
|
362.50
|
3.6
|
1
|
4
|
63.6
|
3
|
|
|
Benzoic acid, 2-hydroxy-6-pentadecyl-, methyl ester
|
362.50
|
9.8
|
1
|
3
|
46.53
|
16
|
|
|
Glycyrrhiza isoflavone B
|
366.40
|
3.4
|
2
|
6
|
89.13
|
2
|
|
|
Glycyrrhizaisoflavone A
|
370.40
|
2.7
|
4
|
7
|
120.36
|
1
|
|
|
2,3,10-Trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-9-ol;chloride
|
373.80
|
|
1
|
5
|
51.8
|
3
|
|
|
Palmatrubine
|
338.40
|
3.4
|
1
|
4
|
51.8
|
3
|
|
|
2-(3,4-Dihydroxyphenyl)-5-hydroxy-3-methoxy-8,8-dimethyl-4h,8h-benzo[1,2-b:3,4-b']dipyran-4-one
|
382.40
|
3.8
|
3
|
7
|
109.36
|
2
|
|
|
(1S,2R,4R)-2-bromo-1-methyl-4-[3-[(1S,2R,3S,5S)-5-methyl-3-prop-1-en-2-yl-6-oxabicyclo[3.1.1]heptan-2-yl]prop-1-en-2-yl]cyclohexan-1-ol
|
383.40
|
5.1
|
1
|
2
|
29.46
|
4
|
|
|
2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone
|
388.40
|
2.9
|
1
|
8
|
96.59
|
6
|
|
|
(1R,2R,4S,7S,8S,11R,12R,14S,17R,18S)-1-hydroxy-2,7,11,14-tetramethyl-17-propan-2-yl-3-oxapentacyclo[10.7.0.02,4.04,8.014,18]nonadecan-16-one
|
388.60
|
4.7
|
1
|
3
|
49.83
|
1
|
|
|
8-Epiloganin
|
390.40
|
-1.4
|
5
|
10
|
155.14
|
5
|
|
|
Edulimide
|
392.50
|
3.5
|
1
|
3
|
66.48
|
10
|
|
|
[(3aS,5R,6R,6aS,9R,9aS,9bS)-6a-hydroperoxy-6,9-dihydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-5-yl] (Z)-2-methylbut-2-enoate
|
394.40
|
1.3
|
3
|
8
|
122.52
|
4
|
|
|
[(4S,12S,15R,16R)-14,14-dimethyl-6-oxo-4-phenyl-3,11,13-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),8-trien-15-yl] acetate
|
394.40
|
3.1
|
0
|
6
|
71.06
|
3
|
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