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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1R,3aR,4R,7aS)-3a-methyl-7-methylidene-1-(2-methylprop-1-enyl)-2,3,4,5,6,7a-hexahydro-1H-inden-4-ol
|
220.35
|
3.6
|
1
|
1
|
20.23
|
1
|
|
|
CID 101326885
|
488.60
|
2.3
|
4
|
7
|
124.29
|
4
|
|
|
[(1R,3S,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl] formate
|
180.24
|
2.4
|
0
|
2
|
26.3
|
2
|
|
|
(2Z,4E)-3-methyl-5-[(1R,2S,3S,5S,8R)-2,3,8-trihydroxy-1,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-8-yl]penta-2,4-dienoic acid
|
312.31
|
-0.4
|
4
|
7
|
124.29
|
3
|
|
|
(2R,3R,4R)-2-(4-hydroxyphenyl)-6-[(2R,3S,4R)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4S)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol
|
834.80
|
3.3
|
13
|
16
|
290.68
|
5
|
|
|
(2R,3R,4R)-2-(4-hydroxyphenyl)-6-[(2R,3S,4R)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3S,4S)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol
|
834.80
|
3.3
|
13
|
16
|
290.68
|
5
|
|
|
(2R,3R,4R)-2-(4-hydroxyphenyl)-6-[(2R,3R,4S)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4S)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol
|
834.80
|
3.3
|
13
|
16
|
290.68
|
5
|
|
|
(1R,3R,10S,15S,16R,18S,25S,30S)-10,14,14,25,29,29-hexamethyl-6,21-di(propan-2-yl)-2,17-dioxaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-4,6,8,19,21,23-hexaene-7,22-diol
|
600.90
|
10.9
|
2
|
4
|
58.92
|
2
|
|
|
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one
|
448.40
|
0.8
|
6
|
11
|
179.28
|
4
|
|
|
methyl 2-[(1S,2R,6R,7R,10R,11S,12S,14R,15S,16S)-14-acetyloxy-6-(furan-3-yl)-16-hydroxy-7,11,13,13-tetramethyl-4-oxo-5,17-dioxapentacyclo[13.2.1.01,10.02,7.011,16]octadecan-12-yl]acetate
|
530.60
|
2.9
|
1
|
9
|
121.5
|
6
|
|
|
methyl 2-[(1S,2R,5R,6R,10R,11S,13S,14R,16S)-14-acetyloxy-6-(furan-3-yl)-11-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadecan-16-yl]acetate
|
530.60
|
2.5
|
1
|
9
|
129.34
|
6
|
|
|
[(3R,4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl] acetate
|
468.80
|
9.9
|
0
|
2
|
26.3
|
2
|
|
|
Liquidambaric lactone
|
468.70
|
6.1
|
0
|
4
|
55.9
|
0
|
|
|
3-[(1R,2S)-1,2-dihydroxybutyl]isochromen-1-one
|
234.25
|
1.3
|
2
|
4
|
70.67
|
3
|
|
|
(1R,10R,12S)-3,12-dihydroxy-4-methoxy-11,11-dimethyl-5-propan-2-yl-13-oxatetracyclo[10.2.2.01,10.02,7]hexadeca-2,4,6-trien-8-one
|
360.40
|
3.1
|
2
|
5
|
75.99
|
2
|
|
|
(1R,3S,5R,7R,10S,14S,16R,19R,21S,22R,23S,26S,27R,30R)-5,26-dihydroxy-8,8,19,21,26-pentamethyl-4,9,13,24,28,29-hexaoxanonacyclo[14.12.1.11,19.03,5.03,16.07,14.010,14.023,27.022,30]triacontane-2,12,20,25-tetrone
|
574.60
|
-0.7
|
2
|
12
|
167.42
|
0
|
|
|
3-O-(E)-Feruloylquinic acid
|
368.30
|
-0.1
|
5
|
9
|
153.75
|
6
|
|
|
(3R)-8-hydroxy-3-(hydroxymethyl)-3-methyl-2H-naphthalene-1,4-dione
|
220.22
|
1.6
|
2
|
4
|
74.6
|
1
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,4S,7S,8R,9S,12S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1035.20
|
-1.1
|
13
|
22
|
346.06
|
15
|
|
|
Norneolitsine
|
309.30
|
2.6
|
1
|
5
|
48.95
|
0
|
|
|
TG(16:0/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))
|
851.30
|
19.5
|
0
|
6
|
78.9
|
48
|
|
|
1-Palmitoyl-2-a-linolenoyl-3-linoleoyl-glycerol
|
853.30
|
20.2
|
0
|
6
|
78.9
|
49
|
|
|
1-Palmitoyl-2-a-linolenoyl-3-oleoyl-glycerol
|
855.40
|
20.9
|
0
|
6
|
78.9
|
50
|
|
|
Jasminoside
|
550.50
|
-0.6
|
5
|
13
|
198.51
|
12
|
|
|
Isobutyl laurate
|
256.42
|
6.6
|
0
|
2
|
26.3
|
13
|
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