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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
smeathxanthone A
|
396.40
|
5.9
|
4
|
6
|
111.13
|
5
|
|
|
Decursinol, (-)-
|
246.26
|
1.9
|
1
|
4
|
59.67
|
0
|
|
|
Riccardin F
|
438.50
|
6.8
|
2
|
4
|
58.92
|
1
|
|
|
2,4-Dimethylhexane
|
114.23
|
4
|
0
|
0
|
0
|
3
|
|
|
Lucialdehyde D
|
466.70
|
5.4
|
0
|
4
|
68.28
|
5
|
|
|
4-Methylheptane
|
114.23
|
4.3
|
0
|
0
|
0
|
4
|
|
|
Anisatin
|
328.31
|
-1.9
|
4
|
8
|
133.52
|
0
|
|
|
[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl pyridine-3-carboxylate
|
537.50
|
-1.3
|
6
|
13
|
197.49
|
11
|
|
|
19-Carboxylcalactinic acid methyl ester
|
578.60
|
1.1
|
4
|
11
|
169.05
|
6
|
|
|
ethyl (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,5-dihydroxy-4-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylate
|
588.60
|
2.5
|
5
|
13
|
198.51
|
13
|
|
|
Ponasterone A
|
464.60
|
1.9
|
5
|
6
|
118.22
|
5
|
|
|
(E)-2-[2-hydroxy-5-[(E)-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxoprop-1-enyl]-3-methoxyphenyl]-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
|
624.70
|
5.4
|
6
|
8
|
157.58
|
13
|
|
|
4-Heptanol
|
116.20
|
2.2
|
1
|
1
|
20.23
|
4
|
|
|
[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,1R,4S)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] heptadec-16-en-12-ynoate
|
659.10
|
15.3
|
0
|
2
|
26.3
|
19
|
|
|
bruguierins A
|
727.20
|
16.6
|
2
|
4
|
66.76
|
22
|
|
|
Epicatechin-(4beta->8)-epigallocatechin 3'-gallate
|
746.60
|
3.2
|
13
|
17
|
307.75
|
6
|
|
|
Bruguiesulfurol
|
154.21
|
-0.8
|
1
|
4
|
88.05
|
0
|
|
|
Halleron
|
196.20
|
0.1
|
1
|
4
|
63.6
|
4
|
|
|
Isobutyl isovalerate
|
158.24
|
2.7
|
0
|
2
|
26.3
|
5
|
|
|
(2S,3R,8S,9Z)-heptadeca-9,16-dien-4,6-diyne-2,3,8-triol
|
276.40
|
2.8
|
3
|
3
|
60.69
|
9
|
|
|
(E)-1-pyrrolidin-1-yl-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
|
291.34
|
2.2
|
0
|
4
|
48
|
5
|
|
|
Amarogentin
|
586.50
|
2.4
|
6
|
13
|
201.67
|
8
|
|
|
4-Octanol
|
130.23
|
2.7
|
1
|
1
|
20.23
|
5
|
|
|
5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3H-1,3-benzoxazol-2-one
|
313.26
|
-1
|
5
|
8
|
145.38
|
3
|
|
|
5-Dehydroxyparatocarpin K
|
322.40
|
3.5
|
1
|
4
|
55.76
|
1
|
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