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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(E)-4-hydroxy-3-methylbut-2-enyl] 2-hydroxybenzoate
|
222.24
|
1.9
|
2
|
4
|
66.76
|
5
|
|
|
Methyl 3-epi-4,5-didehydrojasmonate
|
222.28
|
2
|
0
|
3
|
43.37
|
6
|
|
|
Annuionone B
|
222.28
|
0.4
|
0
|
3
|
43.37
|
2
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxane-2-carboxylic acid
|
1119.20
|
0.4
|
14
|
24
|
391.2
|
13
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]oxycarbonyl-4-(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]-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxane-2-carboxylic acid
|
1271.30
|
1.6
|
16
|
28
|
457.96
|
16
|
|
|
1,1,4,7-tetramethyl-2,3,4,4a,5,6,7,7b-octahydro-1aH-cyclopropa[e]azulen-7a-ol
|
222.37
|
4.1
|
1
|
1
|
20.23
|
0
|
|
|
2-Methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)heptan-2-ol
|
222.37
|
3.8
|
1
|
1
|
20.23
|
5
|
|
|
(4E,7Z)-1,5,9,9-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,7-diene
|
220.35
|
3.9
|
0
|
1
|
12.53
|
0
|
|
|
Humulenol I
|
220.35
|
3.5
|
1
|
1
|
20.23
|
0
|
|
|
(1R,3S)-6-hydroxy-7,9-dimethoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione
|
318.32
|
2.1
|
1
|
6
|
82.06
|
2
|
|
|
(2R,4aS,4bR,6R,7R,10aR)-6,7-dihydroxy-2,4b-dimethyl-2-(2-methylfuran-3-yl)-4,4a,5,6,7,8,10,10a-octahydro-3H-phenanthren-1-one
|
344.40
|
2.6
|
2
|
4
|
70.67
|
1
|
|
|
7-[[(1S,2S,4aR,5S,8aS)-1,2,4a,5-tetramethyl-6-oxo-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]chromen-2-one
|
382.50
|
5.5
|
0
|
4
|
56.51
|
3
|
|
|
(2S,3R,4S,5S,6R)-2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
436.50
|
0.8
|
5
|
9
|
138.07
|
8
|
|
|
methyl (1S,3R,4aS,5aS,6S,10aR)-3-hydroxy-1-methyl-2'-oxospiro[1,3,4,4a,5,5a,7,8,10,10a-decahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate
|
386.40
|
1.5
|
2
|
6
|
88.1
|
2
|
|
|
6-O-caffeoyl-beta-glucose
|
342.30
|
-0.4
|
6
|
9
|
156.91
|
5
|
|
|
[1-(3,4-Dimethoxyphenyl)-3-oxodecan-5-yl] acetate
|
350.40
|
4
|
0
|
5
|
61.83
|
13
|
|
|
[6]-Gingerdiol 5-acetate
|
338.40
|
4.2
|
2
|
5
|
75.99
|
12
|
|
|
(13Z)-10-butan-2-yl-6-[2-(3,4-dimethyl-5-oxoimidazolidin-1-yl)-3-methylbutanoyl]-16-methoxy-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(18),13,16-triene-8,11-dione
|
571.70
|
2.9
|
2
|
7
|
120.52
|
6
|
|
|
(5aR,10bR)-10b-[3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-1,3,8-trihydroxy-5aH-[1]benzofuro[2,3-b]chromen-11-one
|
570.50
|
4.3
|
7
|
12
|
207.35
|
2
|
|
|
7H-Furo[3,2-g][1]benzopyran-7-one, 9-[[6-O-(6-deoxy-I+/--L-mannopyranosyl)-I(2)-D-glucopyranosyl]oxy]-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (S)-
|
570.50
|
-1.9
|
7
|
14
|
217.97
|
6
|
|
|
[(2S,3R,6R,8S,11R,12R,18R)-18-(furan-3-yl)-2,11-dihydroxy-3,9,9,17-tetramethyl-5,10,20-trioxo-4,7,19-trioxahexacyclo[11.7.1.02,11.03,8.06,8.017,21]henicosa-1(21),13-dien-12-yl] acetate
|
540.50
|
-0.5
|
2
|
11
|
162.1
|
3
|
|
|
methyl 2-[(3R,4R)-4-[(1aR,3S,3aR,4R,5R,6R,7aS)-4,5-diacetyloxy-3-(furan-3-yl)-3a-methyl-7-methylidene-1a,2,3,4,5,6-hexahydroindeno[1,7a-b]oxiren-6-yl]-2,2,4-trimethyl-7-oxo-3H-oxepin-3-yl]acetate
|
570.60
|
2.9
|
0
|
10
|
130.87
|
9
|
|
|
1,1'-(1,4-Dihydro-4-nonyl-3,5-pyridinediyl)bis[1-dodecanone]
|
572.00
|
15
|
1
|
3
|
46.17
|
30
|
|
|
2-[2-[(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-6-yl]-4,5-dihydroxyphenyl]-5,7-dihydroxychromen-4-one
|
572.50
|
4.1
|
8
|
12
|
218.35
|
3
|
|
|
(4aS,6aR,6aR,6bR,7R,8aR,12aR,14bS)-7-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
|
470.70
|
5.8
|
2
|
4
|
74.6
|
1
|
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