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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
12-Deuterio-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
|
349.40
|
1
|
1
|
5
|
81.42
|
1
|
|
|
Pongachalcone II
|
352.40
|
4.4
|
2
|
5
|
75.99
|
4
|
|
|
methyl (2R,3R)-3-[(S)-cyano(phenyl)methoxy]-2-hydroxy-3-[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]oxypropanoate
|
353.32
|
0.1
|
2
|
9
|
135.31
|
11
|
|
|
4-O-Methylgalactinol
|
356.32
|
-4.8
|
8
|
11
|
189.53
|
4
|
|
|
(1R,5R,6R,7R)-7-(3,4-dimethoxyphenyl)-5-methoxy-6-methyl-3-prop-2-enylbicyclo[3.2.1]oct-3-ene-2,8-dione
|
356.40
|
3.4
|
0
|
5
|
61.83
|
6
|
|
|
[(1R)-1-[(2S,3S,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-methoxy-2-oxoethyl] 3,4,5-trihydroxybenzoate
|
358.25
|
-0.8
|
5
|
11
|
180.05
|
6
|
|
|
(1S,7aS,11aS)-1,5-dihydroxy-4-(hydroxymethyl)-8,8,11a-trimethyl-1,7,7a,9,10,11-hexahydronaphtho[1,2-e][2]benzofuran-3,6-dione
|
360.40
|
3
|
3
|
6
|
104.06
|
1
|
|
|
2-[(3aS,6aS,7S,8S,10aS)-7-(carboxymethyl)-2,7-dimethyl-5-oxo-3a,6,6a,8,9,10-hexahydro-1H-cyclopenta[j]isochromen-8-yl]-2-methylpropanoic acid
|
364.40
|
2.3
|
2
|
6
|
100.9
|
4
|
|
|
methyl (1R,9S,11S,14Z,15S,19R)-14-ethylidene-19-formyl-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3,5,7-triene-19-carboxylate
|
366.40
|
1.6
|
1
|
6
|
67.87
|
3
|
|
|
2,4,5-Trimethylbenzoic acid
|
164.20
|
2.5
|
1
|
2
|
37.3
|
1
|
|
|
cedronolactone C
|
380.40
|
-0.4
|
3
|
8
|
122.52
|
1
|
|
|
6-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol
|
342.30
|
-5.3
|
9
|
11
|
200.53
|
3
|
|
|
Azulene, 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, (1S,4S,7R)-
|
204.35
|
4.6
|
0
|
0
|
0
|
1
|
|
|
3-Hydroxy-5,6,7,8,4'-pentamethoxyflavone
|
388.40
|
2.9
|
1
|
8
|
96.59
|
6
|
|
|
9-Hydroxy-4-[(7-methoxy-2-oxochromen-8-yl)methyl]furo[3,2-g]chromen-7-one
|
390.30
|
3.8
|
1
|
7
|
103.02
|
3
|
|
|
[(3aS,4S,5S,6Z,10E,11aR)-5-acetyloxy-6-(hydroxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate
|
404.50
|
1.8
|
1
|
7
|
99.13
|
6
|
|
|
4,8,9-Trihydroxy-2-(2-hydroxypropan-2-yl)-11-(2-methylbut-3-en-2-yl)-2,3-dihydrofuro[3,2-b]xanthen-5-one
|
412.40
|
4.4
|
4
|
7
|
120.36
|
3
|
|
|
Stigmast-5-ene-3,7-dione
|
426.70
|
7.9
|
0
|
2
|
34.14
|
6
|
|
|
beta-CHLOROGENIN
|
432.60
|
5.1
|
2
|
4
|
58.92
|
0
|
|
|
20alpha-Hydroxytingenone
|
436.60
|
4.5
|
2
|
4
|
74.6
|
0
|
|
|
[(E)-2-[(1S,2S,7S)-2-[(E)-4-hydroperoxy-4-methylpent-2-enyl]-5-(hydroxymethyl)-2-methyl-6-oxo-7-(2-oxopropyl)cyclohept-4-en-1-yl]ethenyl] 3-methylbut-2-enoate
|
448.50
|
3
|
2
|
7
|
110.13
|
11
|
|
|
(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(E,2R)-6-hydroperoxy-6-methylhept-4-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
|
458.70
|
8
|
2
|
3
|
49.69
|
5
|
|
|
Arabinothalictoside
|
461.40
|
-2.3
|
6
|
12
|
201.44
|
7
|
|
|
Chamazulene
|
184.28
|
4.4
|
0
|
0
|
0
|
1
|
|
|
[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3-hydroxy-4,5-dimethoxybenzoate
|
470.40
|
2.2
|
5
|
10
|
155.14
|
6
|
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