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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
7-(6'R-hydroxy-3',7'-dimethylocta-2',7'-dienyloxy)coumarin
|
314.40
|
4.3
|
1
|
4
|
59.67
|
7
|
|
|
[(2S)-2,3-dihydroxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
238.24
|
0.5
|
3
|
5
|
86.99
|
6
|
|
|
1-(2-Hydroxy-6-methoxyphenyl)-9-(4-hydroxyphenyl)-1-nonanone
|
356.50
|
6.4
|
2
|
4
|
66.76
|
11
|
|
|
1-(2-Hydroxy-6-methoxyphenyl)-9-(4-methoxyphenyl)-1-nonanone
|
370.50
|
6.7
|
1
|
4
|
55.76
|
12
|
|
|
1-(2,6-Dimethoxyphenyl)-9-(4-methoxyphenyl)nonan-1-one
|
384.50
|
6.5
|
0
|
4
|
44.76
|
13
|
|
|
Honyumine
|
353.40
|
3.8
|
2
|
6
|
80.92
|
1
|
|
|
Grandisinine
|
369.40
|
4.8
|
2
|
6
|
80.92
|
4
|
|
|
1,3-Dihydroxy-5,6-dimethoxy-10-methylacridin-9-one
|
301.29
|
2.9
|
2
|
6
|
80.92
|
2
|
|
|
1-hydroxy-3,5,6-trimethoxy-10H-acridin-9-one
|
301.29
|
3.1
|
2
|
6
|
80.78
|
3
|
|
|
Honyudisin
|
312.40
|
4.4
|
1
|
4
|
59.67
|
2
|
|
|
2-(4-Hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one
|
416.40
|
2.1
|
2
|
9
|
116.82
|
5
|
|
|
Clemiscosin D
|
416.40
|
2.1
|
2
|
9
|
116.82
|
5
|
|
|
1,2,6,8-Tetramethoxy-9H-xanthen-9-one
|
316.30
|
2.8
|
0
|
6
|
67.13
|
4
|
|
|
Rosmanol
|
346.40
|
3.4
|
3
|
5
|
86.99
|
1
|
|
|
Galdosol
|
344.40
|
4
|
2
|
5
|
83.83
|
1
|
|
|
[(1R,8S,9S,10S)-3,4-dihydroxy-11,11-dimethyl-15-oxo-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-8-yl] (4aR,10aS)-5,6-dihydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylate
|
660.80
|
9.1
|
4
|
8
|
133.52
|
5
|
|
|
(4aR,10aS)-5,6-diacetyloxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid
|
416.50
|
5.1
|
1
|
6
|
89.9
|
6
|
|
|
methyl (4aR,9R,10aS)-5,6,9-trihydroxy-1,1-dimethyl-10-oxo-7-propan-2-yl-3,4,9,10a-tetrahydro-2H-phenanthrene-4a-carboxylate
|
376.40
|
3.3
|
3
|
6
|
104.06
|
3
|
|
|
methyl (4aR,9S,10aS)-5,6,9-trihydroxy-1,1-dimethyl-10-oxo-7-propan-2-yl-3,4,9,10a-tetrahydro-2H-phenanthrene-4a-carboxylate
|
376.40
|
3.3
|
3
|
6
|
104.06
|
3
|
|
|
Salviol
|
302.50
|
5.2
|
2
|
2
|
40.46
|
1
|
|
|
[(3S,4aS,10aS)-6-acetyloxy-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-3-yl] acetate
|
386.50
|
5.9
|
0
|
4
|
52.6
|
5
|
|
|
[8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5-(5-hydroxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-2-yl)-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] 2-methylbutanoate
|
568.70
|
2.3
|
2
|
11
|
150.35
|
10
|
|
|
Auropolin
|
462.50
|
1.2
|
1
|
9
|
124.8
|
8
|
|
|
(1R,4aS,4bR,7R,9R,10aR)-7-ethenyl-1-(hydroxymethyl)-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-9-ol
|
304.50
|
4.3
|
2
|
2
|
40.46
|
2
|
|
|
methyl (1R,4aS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-9-oxo-2,3,4,5,6,8,10,10a-octahydrophenanthrene-1-carboxylate
|
330.50
|
4.4
|
0
|
3
|
43.37
|
3
|
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