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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3-Methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid
|
330.29
|
-1.5
|
5
|
9
|
145.91
|
5
|
|
|
4-(beta-D-Glucopyranosyloxy)-3-methoxybenzoic acid
|
330.29
|
-1.5
|
5
|
9
|
145.91
|
5
|
|
|
3,5-Dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid
|
332.26
|
-1.7
|
7
|
10
|
177.14
|
4
|
|
|
4-Hydroxybenzoyl glucose
|
300.26
|
-0.8
|
5
|
8
|
136.68
|
4
|
|
|
Benzoic acid + 1O, 1MeO, O-Hex
|
330.29
|
-0.7
|
5
|
9
|
145.91
|
5
|
|
|
1-O-vanilloyl-beta-D-glucose
|
330.29
|
-0.7
|
5
|
9
|
145.91
|
5
|
|
|
Erigeside C
|
360.31
|
-0.8
|
5
|
10
|
155.14
|
6
|
|
|
10-[(3,4-Dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-11-hydroxy-9-(hydroxymethyl)-2-(methoxycarbonyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid
|
827.00
|
0.8
|
9
|
16
|
262.36
|
9
|
|
|
3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
|
624.50
|
-0.6
|
9
|
16
|
258.43
|
8
|
|
|
(2R,3S,3aR)-2-(1,3-benzodioxol-5-yl)-5-methoxy-3-methyl-3a-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one
|
340.40
|
3.8
|
0
|
5
|
53.99
|
4
|
|
|
Gravelliferone
|
298.40
|
5.4
|
1
|
3
|
50.44
|
4
|
|
|
7-(1,1-Dimethylallyl)-2,2-dimethyl-pyrano[3,2-g]chromen-8-one
|
296.40
|
4.8
|
0
|
3
|
39.44
|
2
|
|
|
Nepetalactam
|
165.23
|
1.3
|
1
|
1
|
29.1
|
0
|
|
|
US20230312476, Example 3
|
165.23
|
1.3
|
1
|
1
|
29.1
|
0
|
|
|
2-[Octahydro-4,7-dimethyl-1-oxocyclopenta[c]pyran-3-yl]nepetalactam
|
331.40
|
4
|
0
|
3
|
46.61
|
1
|
|
|
(4aS,7S,7aR)-2-[(3R,4R,4aR,7S,7aR)-4,7-dimethyl-1-oxo-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-3-yl]-4,7-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyridin-1-one
|
331.40
|
4
|
0
|
3
|
46.61
|
1
|
|
|
4-[(3S,3aR,6R,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol
|
402.40
|
2.6
|
1
|
7
|
75.61
|
6
|
|
|
3,5,7,4'-Tetrahydroxy-8-C-(3-methylsuccinoyl)flavone
|
400.30
|
2.8
|
5
|
9
|
165.5
|
5
|
|
|
2-(2,5-Dimethoxyphenyl)-3,5,7,8-tetramethoxychromen-4-one
|
402.40
|
3.2
|
0
|
8
|
85.59
|
7
|
|
|
2-Hydroxy-1,2,3-propanetricarboxylic Acid 1-Butyl Ester
|
248.23
|
-0.1
|
3
|
7
|
121.13
|
9
|
|
|
Dihydrocoriandrin
|
232.23
|
2.6
|
0
|
4
|
48.67
|
1
|
|
|
(7S)-4-methoxy-7-methyl-7,8-dihydrofuro[2,3-g]isochromen-5-one
|
232.23
|
2.6
|
0
|
4
|
48.67
|
1
|
|
|
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
494.40
|
0.3
|
8
|
13
|
219.74
|
5
|
|
|
3-[(1S,3R,5S,7R,9R,10S,12R,14S,15S,18R,19R,21R,22S,23R)-9,10,21,22-tetrahydroxy-7,14,18-trimethyl-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosan-19-yl]-2H-furan-5-one
|
534.60
|
1.3
|
4
|
9
|
134.91
|
1
|
|
|
2,3,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
|
404.50
|
0.3
|
3
|
6
|
104.06
|
2
|
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