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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
1,3,6-Trihydroxy-4-methoxy-8-methylxanthen-9-one
|
288.25
|
2.8
|
3
|
6
|
100.13
|
1
|
|
|
2,3,4,7-Tetramethoxyphenanthrene
|
298.30
|
4.3
|
0
|
4
|
36.92
|
4
|
|
|
4-methoxydianthramide B
|
301.29
|
3.3
|
2
|
5
|
84.86
|
5
|
|
|
[(4aS,7R,8R,8aS)-8-[2-(furan-3-yl)ethyl]-4,7,8-trimethyl-1,2,5,6,7,8a-hexahydronaphthalen-4a-yl]methanol
|
302.50
|
4.9
|
1
|
2
|
33.37
|
4
|
|
|
Cryptodorine
|
309.30
|
2.6
|
1
|
5
|
48.95
|
0
|
|
|
Dipetalolactone
|
310.30
|
3.8
|
0
|
4
|
48.67
|
0
|
|
|
cyclo(L-tyrosyl-L-phenylalanyl)
|
310.30
|
2.3
|
3
|
3
|
78.43
|
4
|
|
|
Hecubine
|
310.40
|
3.3
|
0
|
2
|
20.7
|
1
|
|
|
(1R,2R,4S,5R,9S,10S,13R)-2-hydroxy-5,9,14-trimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-5-carboxylic acid
|
318.40
|
3.9
|
2
|
3
|
57.53
|
1
|
|
|
(1R,3S,4R,9S,10R,13R,14R)-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-3,14-diol
|
322.50
|
3.5
|
3
|
3
|
60.69
|
1
|
|
|
3-[2-[(4aS,8aS)-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]ethyl]-2-hydroxy-2H-furan-5-one
|
332.40
|
3.2
|
1
|
4
|
63.6
|
3
|
|
|
Succinimide
|
99.09
|
-1
|
1
|
2
|
46.17
|
0
|
|
|
(-)-3-Demethylisolariciresinol
|
346.40
|
1.7
|
5
|
6
|
110.38
|
4
|
|
|
(3R,4S,4aR,5S,8R,8aS)-4-[2-(furan-3-yl)ethyl]-5-hydroxy-8a-(hydroxymethyl)-3,4-dimethylspiro[2,3,4a,5,6,7-hexahydronaphthalene-8,2'-oxirane]-1-one
|
348.40
|
2.1
|
2
|
5
|
83.2
|
4
|
|
|
(1R,2S,4S,6S,9S,10S,11S,13S)-2,6,11-trihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-3,15-dione
|
348.40
|
1
|
3
|
5
|
94.83
|
0
|
|
|
Semperoside A
|
360.36
|
-1.1
|
4
|
9
|
134.91
|
3
|
|
|
(2S,3R,10R,13R,14S,17S)-17-acetyl-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
|
362.50
|
0.3
|
3
|
5
|
94.83
|
1
|
|
|
(3aalpha,6aalpha)-1alpha-(3,4-Dimethoxyphenyl)-4alpha-(1,3-benzodioxole-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan
|
370.40
|
2.8
|
0
|
6
|
55.38
|
4
|
|
|
(3R,4R)-4-(4-hydroxy-3-methoxybenzoyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
|
372.40
|
2.4
|
2
|
7
|
102.29
|
6
|
|
|
5-Hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8,8-dimethylpyrano[2,3-h]chromen-4-one
|
404.50
|
5.9
|
2
|
5
|
79.9
|
3
|
|
|
Vibsanin T
|
416.50
|
4.2
|
1
|
5
|
76.13
|
7
|
|
|
Citronellyl hexanoate
|
254.41
|
5.7
|
0
|
2
|
26.3
|
11
|
|
|
Allethrin
|
302.40
|
4.8
|
0
|
3
|
43.37
|
6
|
|
|
(1S,2S,4aR,4bS,7S,8aR,10aR)-4',5',7-trihydroxy-2,4b,8,8,10a-pentamethylspiro[2,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1,2'-3H-1-benzofuran]-7'-carbaldehyde
|
442.60
|
5.6
|
3
|
5
|
86.99
|
1
|
|
|
[3-Acetyloxy-1-(3,4-dimethoxyphenyl)tetradecan-5-yl] acetate
|
450.60
|
7.3
|
0
|
6
|
71.06
|
19
|
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