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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
8-[(2S,3R,4S,5R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-1,5-dihydroxy-3-methoxyxanthen-9-one
|
552.50
|
-0.4
|
7
|
14
|
217.97
|
5
|
|
|
[(1R,4S,5S,6R)-4-(1,3-benzodioxol-5-yl)-6-[2-(1,3-benzodioxol-5-yl)ethyl]-5-(piperidine-1-carbonyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanone
|
572.70
|
5.5
|
0
|
6
|
77.54
|
6
|
|
|
[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-[(1R,2R,6S)-6-(2,4-dihydroxyphenyl)-2-[2-(3,5-dihydroxyphenyl)-6-hydroxy-1-benzofuran-5-yl]-4-methylcyclohex-3-en-1-yl]methanone
|
648.70
|
7.9
|
7
|
9
|
171.82
|
7
|
|
|
[(1S,2R,3R,4S,5R,7S,8R,9R,10R,13R,15R)-2-acetyloxy-4-formyl-13-(furan-3-yl)-5-hydroxy-9-(2-methoxy-2-oxoethyl)-4,8,10,12-tetramethyl-16-oxatetracyclo[8.6.0.03,8.011,15]hexadec-11-en-7-yl] (E)-3-phenylprop-2-enoate
|
660.70
|
4.2
|
1
|
10
|
138.57
|
11
|
|
|
tricolorin F
|
708.80
|
2.2
|
7
|
15
|
223.29
|
5
|
|
|
procyanidin B3 3-O-gallate
|
730.60
|
3.5
|
12
|
16
|
287.52
|
6
|
|
|
ginsenoside Mx
|
755.00
|
3.5
|
8
|
12
|
198.76
|
9
|
|
|
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(1R,3R,5S,8S,9S,10S,13S,14S,16S,17R)-3-hydroxy-17-[(2S,3S)-3-hydroxy-6-methylhept-5-en-2-yl]-10,13-dimethyl-16-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]oxy]oxan-2-yl]methyl 3,4,5-trimethoxybenzoate
|
953.10
|
3.8
|
9
|
18
|
272.98
|
16
|
|
|
(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R)-2-[[(3R,3aS,4S,5aR,5bR,7S,7aR,9S,11aR,11bR,13aR,13bR)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-4,7-bis[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy]-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]-4,5-dihydroxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1019.20
|
0
|
12
|
20
|
316.6
|
9
|
|
|
Epishikimic acid
|
174.15
|
-1.7
|
4
|
5
|
97.99
|
1
|
|
|
1-Methoxy-3-(aminomethyl)indole
|
176.21
|
1.3
|
1
|
2
|
40.18
|
2
|
|
|
2-[(1R)-4-methylcyclohex-3-en-1-yl]prop-2-enyl acetate
|
194.27
|
2.7
|
0
|
2
|
26.3
|
4
|
|
|
5-Hydroxyseselin
|
244.24
|
2.5
|
1
|
4
|
59.67
|
0
|
|
|
9-Cycloheptadecen-1-one
|
250.40
|
6.1
|
0
|
1
|
17.07
|
0
|
|
|
Onosmin B
|
255.31
|
4.2
|
1
|
3
|
38.33
|
5
|
|
|
2-[(2R,5S,7R,8S,8aR)-5,7-dihydroxy-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid
|
266.33
|
1.5
|
3
|
4
|
77.76
|
2
|
|
|
9-Hydroxy-2,3-dimethoxybenzo[g][1]benzofuran-4,5-dione
|
274.22
|
1.6
|
1
|
6
|
85.97
|
2
|
|
|
Nimbidiol
|
274.35
|
4.1
|
2
|
3
|
57.53
|
0
|
|
|
2,6-Dimethylphenol
|
122.16
|
2.4
|
1
|
1
|
20.23
|
0
|
|
|
Abieta-8,11,13-trien-7-one
|
284.40
|
6
|
0
|
1
|
17.07
|
1
|
|
|
(-)-Geranyllinalool
|
290.50
|
6.4
|
1
|
1
|
20.23
|
10
|
|
|
16-Epivellosimine
|
292.40
|
2
|
1
|
2
|
36.1
|
1
|
|
|
3,4,9-Trimethoxyphenanthrene-2,5-diol
|
300.30
|
3.6
|
2
|
5
|
68.15
|
3
|
|
|
Mopanan-4alpha-ol
|
302.28
|
0.8
|
4
|
6
|
99.38
|
0
|
|
|
(2S,3R)-2-(2-hydroxypropan-2-yl)-4,9-dimethoxy-2,3-dihydrobenzo[f][1]benzofuran-3-ol
|
304.34
|
2.6
|
2
|
5
|
68.15
|
3
|
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