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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
1,3,5,8-Tetrahydroxy-6-methoxy-2-methylanthraquinone
|
316.26
|
2.9
|
4
|
7
|
124.29
|
1
|
|
|
3-(7-Methoxy-2-oxochromen-8-yl)-2,2-dimethylpropanoic acid
|
276.28
|
2.6
|
1
|
5
|
76.74
|
4
|
|
|
3,8,9-Trihydroxy-6-methoxy-3-methyl-10-(2,5,10-trihydroxy-7-methoxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl)-2,4-dihydroanthracen-1-one
|
574.60
|
4.3
|
6
|
10
|
173.98
|
3
|
|
|
[(3aS,5R,5aR,7R,8aS,9aR)-8a-hydroxy-1,8-dimethylidene-2-oxospiro[4,5a,6,7,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-5,2'-oxirane]-7-yl] acetate
|
320.30
|
0.2
|
1
|
6
|
85.36
|
2
|
|
|
[(3aS,5aS,7R,8aS,9aR)-8a-hydroxy-1,5,8-trimethylidene-2-oxo-4,5a,6,7,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-7-yl] acetate
|
304.34
|
0.8
|
1
|
5
|
72.83
|
2
|
|
|
[(3aS,5R,5aR,7R,8aS,9aR)-8a-hydroxy-1,8-dimethylidene-2-oxospiro[4,5a,6,7,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-5,2'-oxirane]-7-yl] propanoate
|
334.40
|
0.6
|
1
|
6
|
85.36
|
3
|
|
|
(3aS,5S,6aR,9S,9aR,9bR)-5-hydroxy-9-methyl-3,6-dimethylidene-3a,4,5,6a,7,9,9a,9b-octahydroazuleno[4,5-b]furan-2,8-dione
|
262.30
|
0.7
|
1
|
4
|
63.6
|
0
|
|
|
(3aS,5R,5aR,7R,8aS,9aR)-7,8a-dihydroxy-1,8-dimethylidenespiro[4,5a,6,7,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-5,2'-oxirane]-2-one
|
278.30
|
-0.4
|
2
|
5
|
79.29
|
0
|
|
|
5,8a-Dimethyl-5-(4-methylpent-3-enyl)-1,4,4a,6,7,8-hexahydronaphthalene-1,2-dicarbaldehyde
|
302.50
|
5.2
|
0
|
2
|
34.14
|
5
|
|
|
11-Ethyl-13-methyl-4-methylidene-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,16-diol
|
343.50
|
2.4
|
2
|
3
|
43.7
|
1
|
|
|
2-Acetylpyridine
|
121.14
|
0.9
|
0
|
2
|
29.96
|
1
|
|
|
CID 14286063
|
374.50
|
2.9
|
0
|
5
|
65.13
|
2
|
|
|
Gelomulide A
|
374.50
|
2.9
|
0
|
5
|
65.13
|
2
|
|
|
(1S,3R,8R,10S,11R,16S)-5,11,15,15-tetramethyl-2,7-dioxapentacyclo[8.8.0.01,3.04,8.011,16]octadec-4-ene-6,14-dione
|
330.40
|
2
|
0
|
4
|
55.9
|
0
|
|
|
[(1S,3R,8R,10S,11R,12R,16S)-5,11,15,15-tetramethyl-6,14-dioxo-2,7-dioxapentacyclo[8.8.0.01,3.04,8.011,16]octadec-4-en-12-yl] acetate
|
388.50
|
1.6
|
0
|
6
|
82.2
|
2
|
|
|
Gelomulide B
|
388.50
|
2.2
|
0
|
6
|
77.66
|
2
|
|
|
(1S,3R,8R,10S,11R,16S)-5,11,15,15-tetramethyl-2,7-dioxapentacyclo[8.8.0.01,3.04,8.011,16]octadeca-4,12-diene-6,14-dione
|
328.40
|
2.2
|
0
|
4
|
55.9
|
0
|
|
|
methyl (1S,11S,17R,18S)-18-ethyl-6-methoxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carboxylate
|
354.40
|
3
|
1
|
5
|
50.8
|
4
|
|
|
methyl (3S,3aR,7aS)-7a-ethenyl-3-(1H-indol-2-yl)-6-methyl-3a,4,5,7-tetrahydro-2H-furo[2,3-c]pyridine-3-carboxylate
|
340.40
|
2.3
|
1
|
4
|
54.56
|
4
|
|
|
[(6S,8R,11R,12S,14R,15S,16R)-6-benzamido-15-[(1S)-1-(dimethylamino)ethyl]-7,7,12,16-tetramethyl-14-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),3-dienyl] acetate
|
546.80
|
6.7
|
1
|
4
|
58.64
|
6
|
|
|
1-(6,10,15,19-Tetramethyl-17-oxa-19-azapentacyclo[12.8.0.03,11.06,10.015,20]docosa-1,3-dien-7-yl)ethanone
|
397.60
|
4.5
|
0
|
3
|
29.54
|
1
|
|
|
[(3S,5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2S)-6-methylhept-5-en-2-yl]-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
|
468.80
|
9.8
|
0
|
2
|
26.3
|
6
|
|
|
[(4aS,9S,10aS)-6-acetyloxy-1,1,4a-trimethyl-5,8-dioxo-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-9-yl] acetate
|
416.50
|
4.4
|
0
|
6
|
86.74
|
5
|
|
|
(-)-Isolongifolen-9-one
|
218.33
|
3.6
|
0
|
1
|
17.07
|
0
|
|
|
Pedunculoside
|
650.80
|
3.5
|
7
|
10
|
177.14
|
5
|
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