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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
5,10-Dihydroxy-8-methoxy-2-propylbenzo[h]chromen-4-one
|
300.30
|
3.8
|
2
|
5
|
79.9
|
3
|
|
|
8-(2-Hydroperoxy-3-methylbut-3-enyl)-7-methoxychromen-2-one
|
276.28
|
2.8
|
1
|
5
|
68.9
|
5
|
|
|
7-Methoxy-8-(3-methylbuta-1,3-dien-1-yl)-2H-chromen-2-one
|
242.27
|
3.9
|
0
|
3
|
39.44
|
3
|
|
|
cis-Dehydroosthol
|
242.27
|
3.9
|
0
|
3
|
39.44
|
3
|
|
|
[(1R,2R)-1-hydroxy-1-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-3-en-2-yl] acetate
|
318.32
|
2.2
|
1
|
6
|
85.97
|
6
|
|
|
[(1R,2S)-1-hydroxy-1-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-3-en-2-yl] acetate
|
318.32
|
2.2
|
1
|
6
|
85.97
|
6
|
|
|
CID 13917405
|
258.27
|
2.6
|
0
|
4
|
51.97
|
3
|
|
|
(7-Methoxy-8-(1,2-dihydroxy-3-methyl-3-butenyl))coumarin
|
276.28
|
1.6
|
2
|
5
|
79.9
|
4
|
|
|
7-Methoxy-8-[(E)-3-oxo-1-butenyl]-2H-1-benzopyran-2-one
|
244.24
|
2
|
0
|
4
|
56.51
|
3
|
|
|
7-methoxy-8-[(Z)-3-oxobut-1-enyl]chromen-2-one
|
244.24
|
2
|
0
|
4
|
56.51
|
3
|
|
|
[(2S)-3-hydroxy-1-(7-methoxy-2-oxochromen-8-yl)-3-methylbutan-2-yl] 3-methylbutanoate
|
362.40
|
3.3
|
1
|
6
|
85.97
|
8
|
|
|
5-Hydroxy-7-methoxy-8-prenyl-coumarin
|
260.28
|
3.5
|
1
|
4
|
59.67
|
3
|
|
|
[1-(7-Methoxy-2-oxochromen-8-yl)-3-methyl-2-oxobutyl] 3-methylbut-2-enoate
|
358.40
|
4
|
0
|
6
|
82.81
|
7
|
|
|
(3,4,5,11,12,21,22,23-Octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-13-yl) 3,4,5-trihydroxybenzoate
|
634.50
|
0.1
|
11
|
18
|
310.66
|
3
|
|
|
Sanguiin H4
|
634.50
|
0.6
|
11
|
18
|
310.66
|
4
|
|
|
Isostrictinin
|
634.50
|
0.6
|
11
|
18
|
310.66
|
4
|
|
|
[(10R,11R,13R,14R,15S)-3,4,5,14,20,21,22-heptahydroxy-13-(hydroxymethyl)-8,17-dioxo-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-11-yl] 3,4,5-trihydroxybenzoate
|
634.50
|
0.6
|
11
|
18
|
310.66
|
4
|
|
|
CID 13917529
|
610.50
|
2.1
|
8
|
14
|
236.81
|
8
|
|
|
(3R,3aS,6R,6aS,10aS)-3,6,9-trimethyl-3,3a,4,5,6,6a,7,8-octahydrobenzo[h][1]benzofuran-2-one
|
234.33
|
3.2
|
0
|
2
|
26.3
|
0
|
|
|
3,6,9-Trimethyl-3,3a,4,5,6,6a,7,8-octahydrobenzo[h][1]benzofuran-2-one
|
234.33
|
3.2
|
0
|
2
|
26.3
|
0
|
|
|
Euonine
|
805.80
|
0.5
|
1
|
19
|
252.75
|
13
|
|
|
methyl (1R,4aR,4bR,7R,9R,10aR)-7-ethenyl-9-hydroxy-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate
|
332.50
|
4.6
|
1
|
3
|
46.53
|
3
|
|
|
(1S,3R,8R,11S,12S,15R,16R)-15-[(2R,5R)-5,6-dimethylhept-6-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
|
438.70
|
10.1
|
0
|
1
|
17.07
|
5
|
|
|
Armexifolin
|
262.30
|
0.8
|
1
|
4
|
63.6
|
0
|
|
|
[(3aR,4S,9aS,9bR)-6,9-dimethyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] acetate
|
302.32
|
1.1
|
0
|
5
|
69.67
|
2
|
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