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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2R,3S)-2-(3,4-dihydroxyphenyl)-5-methyl-3,4-dihydro-2H-chromene-3,7-diol
|
288.29
|
1.1
|
4
|
5
|
90.15
|
1
|
|
|
1,2,4-Trithiane
|
138.30
|
1.4
|
0
|
3
|
75.9
|
0
|
|
|
Cryptoxanthin epoxide
|
568.90
|
11.7
|
1
|
2
|
32.76
|
10
|
|
|
5,6:5',8'-Diepoxy-5,6,5',8'-tetrahydro-beta,beta-carotene-3,3'-diol
|
600.90
|
9.4
|
2
|
4
|
62.22
|
9
|
|
|
4-(Butoxymethyl)phenol
|
180.24
|
2.5
|
1
|
2
|
29.46
|
5
|
|
|
3-Methyl-2-cyclopentene-1-thione
|
112.19
|
1.1
|
0
|
1
|
32.09
|
0
|
|
|
Bis-gamma-glutamylcystine
|
498.50
|
-7.8
|
8
|
14
|
310.04
|
17
|
|
|
g-Glu-Ile
|
260.29
|
-3.5
|
4
|
6
|
129.72
|
8
|
|
|
2-Decanol
|
158.28
|
4
|
1
|
1
|
20.23
|
7
|
|
|
4-Hydroxy-3-nitrobenzyl alcohol
|
169.13
|
1.1
|
2
|
4
|
83.6
|
1
|
|
|
Dodecanamide
|
199.33
|
3.5
|
1
|
1
|
43.09
|
10
|
|
|
Undecane
|
156.31
|
5.6
|
0
|
0
|
0
|
8
|
|
|
9-hexadecenoic acid, methyl ester, (9Z)-
|
268.40
|
6.5
|
0
|
2
|
26.3
|
14
|
|
|
Mikimopine
|
283.24
|
-3.6
|
5
|
8
|
152.61
|
5
|
|
|
11-Methyl-6-methylidene-16-oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
|
494.50
|
-0.4
|
5
|
10
|
162.98
|
4
|
|
|
Gymnemic acid XIII
|
767.00
|
3.5
|
8
|
13
|
223.67
|
9
|
|
|
Gymnemic acid xiv
|
764.90
|
3.3
|
8
|
13
|
223.67
|
8
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4Ar,6aR,6bS,8S,8aR,9R,10R,12aS,14aR,14bR)-8,9,10-trihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
|
682.80
|
2.1
|
9
|
12
|
217.6
|
5
|
|
|
4,10-Epoxy-11-spirovetiven-2-one
|
234.33
|
2.5
|
0
|
2
|
26.3
|
1
|
|
|
(2R,5S,6S,10R)-6-(Hydroxymethyl)-10-methyl-2-(1-methylethenyl)spiro[4.5]decan-8-one
|
236.35
|
3.1
|
1
|
2
|
37.3
|
2
|
|
|
(2S)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
|
370.40
|
4.3
|
3
|
6
|
96.22
|
4
|
|
|
Methyl arachidate
|
326.60
|
10.1
|
0
|
2
|
26.3
|
19
|
|
|
9,16-Dihydroxyhexadecanoic acid
|
288.42
|
3.6
|
3
|
4
|
77.76
|
15
|
|
|
10,20-Dihydroxyeicosanoic acid
|
344.50
|
5.8
|
3
|
4
|
77.76
|
19
|
|
|
7-Hydroxyhexadecanedioic acid
|
302.41
|
3.5
|
3
|
5
|
94.83
|
15
|
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