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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(3aS,4R,5E,9R,11aS)-9-hydroperoxy-4-hydroxy-6-methyl-3,10-dimethylidene-4,7,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
|
280.32
|
0.8
|
2
|
5
|
75.99
|
1
|
|
|
(3aR,4S,10E,11aR)-4-hydroxy-10-methyl-3,6-dimethylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2,7-dione
|
262.30
|
1.2
|
1
|
4
|
63.6
|
0
|
|
|
[(3aR,4S,5aR,6R,9aS,9bR)-6-hydroxy-5a-methyl-3,9-dimethylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl] acetate
|
306.40
|
1.6
|
1
|
5
|
72.83
|
2
|
|
|
(3aR,4R,5aS,6S,9aR,9bS)-4,6-dihydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
|
264.32
|
1
|
2
|
4
|
66.76
|
0
|
|
|
(3aR,4aR,5S,9aR)-4a,5-dimethyl-3-methylidene-4,5,6,7,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one
|
232.32
|
3.4
|
0
|
2
|
26.3
|
0
|
|
|
[6-Hydroxy-7,7,12,16-tetramethyl-15-(6-methylhept-5-en-2-yl)-4-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
|
484.80
|
9.2
|
1
|
3
|
46.53
|
6
|
|
|
4,10,13,14-Tetramethyl-17-(6-methylhept-5-en-2-yl)-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-1,2,3-triol
|
444.70
|
6.6
|
3
|
3
|
60.69
|
4
|
|
|
[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienyl] acetate
|
212.28
|
1.9
|
1
|
3
|
46.53
|
6
|
|
|
(2E,8E,10E)-heptadeca-2,8,10,16-tetraen-4,6-diyn-1-ol
|
240.34
|
4.6
|
1
|
1
|
20.23
|
8
|
|
|
(6Z)-6,10-dimethyl-3-propan-2-ylidenecyclodec-6-ene-1,4-dione
|
234.33
|
2.8
|
0
|
2
|
34.14
|
0
|
|
|
Curcumanolides B
|
234.33
|
4.3
|
0
|
2
|
26.3
|
1
|
|
|
[(3aR,4R,6R,6aR,9aR,9bR)-6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-2-(acetyloxymethyl)-4-hydroxybut-2-enoate
|
420.50
|
0.7
|
2
|
8
|
119.36
|
7
|
|
|
[(3aR,4R,6R,6aR,9aR,9bR)-6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
|
378.40
|
0.1
|
3
|
7
|
113.29
|
5
|
|
|
20-Hydroxylupan-3-one
|
442.70
|
8
|
1
|
2
|
37.3
|
1
|
|
|
21-Hydroxy-5-methyl-15-methylidene-7-oxa-10-azaheptacyclo[12.6.2.01,11.05,20.06,10.012,17.017,21]docosan-19-one
|
355.50
|
1.6
|
1
|
4
|
49.77
|
0
|
|
|
21-Hydroxy-5-methyl-15-methylidene-7-oxa-10-azaheptacyclo[12.6.2.01,11.05,20.06,10.012,17.017,21]docosane-19,22-dione
|
369.50
|
0.9
|
1
|
5
|
66.84
|
0
|
|
|
Alstonisine
|
338.40
|
0.8
|
1
|
4
|
58.64
|
1
|
|
|
methyl (1S,10S,11S,12Z,17S)-12-ethylidene-2-oxo-9,14-diazapentacyclo[9.5.2.01,9.03,8.014,17]octadeca-3,5,7-triene-10-carboxylate
|
338.40
|
2.1
|
0
|
5
|
49.85
|
2
|
|
|
1-[7-[(16-Hydroxy-3,16,20-trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8-tetraen-17-yl)methyl]-6-methoxy-3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4(9),5,7,16-pentaen-17-yl]ethanone
|
704.90
|
4.4
|
1
|
7
|
81.33
|
4
|
|
|
(3aS,4R,5E,9E,11aS)-3a,4,7,8,11,11a-Hexahydro-4-hydroxy-6,10-dimethyl-3-methylenecyclodeca[b]furan-2(3H)-one
|
248.32
|
1.9
|
1
|
3
|
46.53
|
0
|
|
|
(1S,2S,3R,5S,8E,11S)-2-hydroxy-5,9-dimethyl-14-methylidene-4,12-dioxatricyclo[9.3.0.03,5]tetradec-8-en-13-one
|
264.32
|
1.4
|
1
|
4
|
59.06
|
0
|
|
|
(1S,2S,3S,5R,8E,11S)-2-hydroxy-5,9-dimethyl-14-methylidene-4,12-dioxatricyclo[9.3.0.03,5]tetradec-8-en-13-one
|
264.32
|
1.4
|
1
|
4
|
59.06
|
0
|
|
|
(1S,2S,3R,5R,8E,11S)-2-hydroxy-5,9-dimethyl-14-methylidene-4,12-dioxatricyclo[9.3.0.03,5]tetradec-8-en-13-one
|
264.32
|
1.4
|
1
|
4
|
59.06
|
0
|
|
|
(1S,3R,5R,8E,10R,11S)-10-hydroxy-3,8-dimethyl-12-methylidene-4,14-dioxatricyclo[9.3.0.03,5]tetradec-8-en-13-one
|
264.32
|
1.2
|
1
|
4
|
59.06
|
0
|
|
|
[(1R,2R,4R,6R,8S,9Z,11R)-8-acetyloxy-9-(hydroxymethyl)-4-methyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl] (Z)-2-methylbut-2-enoate
|
420.50
|
1.2
|
1
|
8
|
111.66
|
6
|
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