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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1R,2S,3R,4S,4aS,8aR)-4-[(1S)-1-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-3-hydroxy-3,4,8,8a-tetramethyl-2-(2-methylpropanoyloxy)-2,4a,5,6-tetrahydro-1H-naphthalen-1-yl] pyridine-3-carboxylate
|
583.70
|
3.7
|
1
|
10
|
138.32
|
11
|
|
|
[(1R,2S,3R,4S,4aS,8aR)-2-acetyloxy-4-[(1S)-1-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-3-hydroxy-3,4,8,8a-tetramethyl-2,4a,5,6-tetrahydro-1H-naphthalen-1-yl] acetate
|
492.60
|
2.1
|
1
|
9
|
125.43
|
9
|
|
|
[(1R,2S,3R,4S,4aS,8aR)-4-[(1S)-1-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-3-hydroxy-3,4,8,8a-tetramethyl-2-(pyridine-3-carbonyloxy)-2,4a,5,6-tetrahydro-1H-naphthalen-1-yl] pyridine-3-carboxylate
|
618.70
|
3.3
|
1
|
11
|
151.21
|
11
|
|
|
[(1R,2S,3R,4R,4aS,7S,8aR)-2-benzoyloxy-3,7-dihydroxy-3,4,8a-trimethyl-8-methylidene-4-[(E)-2-(5-oxo-2H-furan-3-yl)ethenyl]-1,2,4a,5,6,7-hexahydronaphthalen-1-yl] benzoate
|
572.60
|
4.5
|
2
|
8
|
119.36
|
8
|
|
|
4-[(1E)-2-[(1R,2R,3S,4R,4aR,8aS)-3,4-Bis(acetyloxy)-1,2,3,4,4a,7,8,8a-octahydro-2-hydroxy-1,2,4a,5-tetramethyl-1-naphthalenyl]ethenyl]-2(5H)-furanone
|
432.50
|
2.5
|
1
|
7
|
99.13
|
6
|
|
|
(2S,7S)-7-(4-hydroxyphenyl)-2-(2-hydroxypropan-2-yl)-2,3,6,7-tetrahydrofuro[3,2-g]chromen-5-one
|
340.40
|
2.6
|
2
|
5
|
75.99
|
2
|
|
|
(2S)-2-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[2,3-h]chromen-4-one
|
338.40
|
2.7
|
2
|
5
|
79.9
|
2
|
|
|
(2Z,7R)-2-[(3,4-dihydroxyphenyl)methylidene]-7-(2-hydroxypropan-2-yl)-7,8-dihydrofuro[2,3-g][1]benzofuran-3-one
|
354.40
|
2.9
|
3
|
6
|
96.22
|
2
|
|
|
3-[(3S,4S)-3,4-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-7-hydroxychromen-4-one
|
354.40
|
1.7
|
3
|
6
|
100.13
|
1
|
|
|
3-[(3S,4R)-3,4-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-7-hydroxychromen-4-one
|
354.40
|
1.7
|
3
|
6
|
100.13
|
1
|
|
|
(5S,6S)-5,16-dihydroxy-6-(2-hydroxypropan-2-yl)-7,11,19-trioxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaen-20-one
|
368.30
|
2.6
|
3
|
7
|
113.27
|
1
|
|
|
(6S,7E)-6-ethenyl-8-(4-hydroxyphenyl)-2,6-dimethylocta-1,7-dien-3-one
|
270.40
|
4.6
|
1
|
2
|
37.3
|
7
|
|
|
7-hydroxy-3-[(3S)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]chromen-4-one
|
338.40
|
2.8
|
2
|
5
|
79.9
|
1
|
|
|
(6S)-16-hydroxy-6-(2-hydroxypropan-2-yl)-7,11,19-trioxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,8,13(18),14,16-heptaen-20-one
|
352.30
|
3.1
|
2
|
6
|
93.04
|
1
|
|
|
2-(2,6-Dichloro-3,5-dimethoxyphenyl)furo[2,3-h]chromen-4-one
|
391.20
|
4.8
|
0
|
5
|
61.81
|
3
|
|
|
6-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
580.50
|
-1.3
|
10
|
15
|
260.2
|
6
|
|
|
(2S,4R)-4-hydroxy-1-methylpiperidine-2-carboxylic acid
|
159.18
|
-2.5
|
2
|
4
|
60.77
|
1
|
|
|
[(2S,3S,4R,5R)-4-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxyoxolan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
930.90
|
1.2
|
8
|
22
|
314.58
|
22
|
|
|
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-5-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]-2-(hydroxymethyl)oxolan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
|
960.90
|
1.2
|
8
|
23
|
323.81
|
23
|
|
|
(7S)-4-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-2-(2-hydroxy-6-methylhept-5-en-2-yl)-2,3,6,7-tetrahydrofuro[3,2-g]chromen-5-one
|
454.50
|
4.7
|
3
|
7
|
105.45
|
6
|
|
|
(2S)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-(2-hydroxy-7-methyl-3-methylideneoct-6-enyl)-2,3-dihydrochromen-4-one
|
454.50
|
5.1
|
4
|
7
|
116.45
|
8
|
|
|
(7R,8R)-5,7-dihydroxy-8-(4-hydroxy-3-methoxyphenyl)-2-methyl-2-(4-methylpent-3-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
|
452.50
|
5
|
3
|
7
|
105.45
|
5
|
|
|
(2S)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-2,3-dihydrochromen-4-one
|
468.50
|
6.1
|
3
|
7
|
105.45
|
8
|
|
|
(2S)-6-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
|
442.50
|
3.9
|
5
|
7
|
127.45
|
7
|
|
|
(2S)-5,7-dihydroxy-6-[(E)-6-hydroxy-7-methoxy-3,7-dimethyloct-2-enyl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
|
456.50
|
4.4
|
4
|
7
|
116.45
|
8
|
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