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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
1,5,6-Trihydroxy-3-methoxy-2-(2-methylbut-3-en-2-yl)xanthen-9-one
|
342.30
|
4.4
|
3
|
6
|
100.13
|
3
|
|
|
3,4,3'-Tri-O-methylflavellagic acid
|
360.30
|
2.3
|
2
|
9
|
128.57
|
3
|
|
|
(Z)-S-1-Propenyl methanesulfinothioate
|
136.20
|
0.6
|
0
|
3
|
61.58
|
2
|
|
|
nPropyl-S(O)S-Propenyl
|
164.30
|
1.5
|
0
|
3
|
61.58
|
4
|
|
|
R-1-Propenyl 1-propanesulfinothioate
|
164.30
|
1.5
|
0
|
3
|
61.58
|
4
|
|
|
1-(1-Propenylsulfinyl)propyl propyl disulfide
|
238.40
|
2.7
|
0
|
4
|
86.88
|
7
|
|
|
Multifidol glucoside
|
372.40
|
0.7
|
6
|
9
|
156.91
|
6
|
|
|
2-Methylbutanoyl phloroglucinol
|
210.23
|
2.5
|
3
|
4
|
77.76
|
3
|
|
|
2,3-Dihydroxy-2,4-cyclopentadien-1-one
|
112.08
|
0
|
2
|
3
|
57.53
|
0
|
|
|
N-trans-feruloyl-4'-O-methyldopamine
|
343.40
|
2.1
|
3
|
5
|
88.02
|
7
|
|
|
(E)-3-(3-hydroxy-4-methoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]prop-2-enamide
|
343.40
|
2.1
|
3
|
5
|
88.02
|
7
|
|
|
(E)-3-(3-hydroxy-4-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]prop-2-enamide
|
343.40
|
2.1
|
3
|
5
|
88.02
|
7
|
|
|
3'-bromo-5'-(1-bromopropyl)-2-(1-bromoprop-2-ynyl)spiro[3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5,2'-oxolane]
|
487.00
|
3.9
|
0
|
3
|
27.69
|
3
|
|
|
[(E,2S,3S)-3-bromo-1-[(2R,3R,5R)-5-[(1R)-1-bromoprop-2-ynyl]-3-hydroxyoxolan-2-yl]oct-5-en-2-yl] acetate
|
452.20
|
3.5
|
1
|
4
|
55.76
|
9
|
|
|
(2R,3R,5R)-5-[(1R)-1-bromoprop-2-ynyl]-2-[[(2S,3S,5S,6R)-3,5-dibromo-6-ethyloxan-2-yl]methyl]oxolan-3-ol
|
489.00
|
3.7
|
1
|
3
|
38.69
|
4
|
|
|
(2R,3R,5R)-2-[[(2S,3S,5R)-3-bromo-5-[(1R)-1-bromopropyl]oxolan-2-yl]methyl]-5-[(1R)-1-bromoprop-2-ynyl]oxolan-3-ol
|
489.00
|
3.7
|
1
|
3
|
38.69
|
5
|
|
|
(-)-Thaicanine
|
371.40
|
2.9
|
1
|
6
|
60.39
|
4
|
|
|
Velleral
|
232.32
|
3
|
0
|
2
|
34.14
|
2
|
|
|
6-Hydroxy-3-methyl-6-(propan-2-yl)cyclohex-2-en-1-one
|
168.23
|
1.4
|
1
|
2
|
37.3
|
1
|
|
|
[5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
784.80
|
-1.4
|
9
|
19
|
282.21
|
15
|
|
|
(2R,3R,4S,5S,6R)-2-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
330.33
|
-0.5
|
5
|
8
|
128.84
|
6
|
|
|
(3S,3aS,5aS,6R,9aR,9bS)-Decahydro-6,9a-dihydroxy-3,5a-dimethyl-9-methylenenaphtho[1,2-b]furan-2(3H)-one
|
266.33
|
1.1
|
2
|
4
|
66.76
|
0
|
|
|
[(3aR,4R,6R,6aR,9aR,9bR)-6,8-dihydroxy-6,9-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,6a,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] (Z)-2-methylbut-2-enoate
|
376.40
|
1.4
|
2
|
7
|
110.13
|
3
|
|
|
2-O-methyl 4a-O-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2S,4aR,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylate
|
841.00
|
1.5
|
9
|
16
|
262.36
|
10
|
|
|
methyl (E)-4-(1H-indol-3-yl)-2-methyl-4-oxobut-2-enoate
|
243.26
|
2.5
|
1
|
3
|
59.16
|
4
|
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