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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1S,8R,9S,17R)-8,17-dihydroxy-13-[2-(6-methoxy-4-oxochromen-2-yl)ethyl]-5-(2-phenylethyl)-6,10-dioxatetracyclo[7.7.1.02,7.011,16]heptadeca-2(7),4,11(16),12,14-pentaen-3-one
|
578.60
|
4
|
2
|
8
|
119.34
|
7
|
|
|
2-[(2S)-4-methoxy-6-phenyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol
|
284.30
|
3.5
|
1
|
3
|
38.69
|
3
|
|
|
3,4,5-trihydroxy-2-[[(10R,11S,12R,13S,15R)-3,4,21,22,23-pentahydroxy-8,18-dioxo-11,12,13-tris[(3,4,5-trihydroxybenzoyl)oxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-5-yl]oxy]benzoic acid
|
1106.80
|
2.7
|
18
|
31
|
531.17
|
12
|
|
|
(8R,9S,11bS)-7,8,11-trihydroxy-3,4,9,11b-tetramethyl-8,9-dihydro-1H-naphtho[2,1-f][1]benzofuran-2,6-dione
|
356.40
|
1.6
|
3
|
6
|
104.06
|
0
|
|
|
7-(2-Hydroxypropan-2-yl)-2,2,5,5-tetramethyl-1,3-dihydropyrrolo[3,2-b]pyridin-6-one
|
250.34
|
1.3
|
2
|
4
|
61.69
|
1
|
|
|
(7R)-3,5,5,7,11,11,13-heptamethyl-4,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2,9-trien-12-one
|
286.40
|
2.4
|
1
|
3
|
41.46
|
0
|
|
|
(1S,2S,3R,17S)-3-(3,5-dihydroxyphenyl)-2,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),9,11(16),12,14-heptaene-5,13,15-triol
|
678.70
|
7.5
|
8
|
9
|
174.98
|
4
|
|
|
(2S,7S)-4,7-dihydroxy-2-(2-hydroxypropan-2-yl)-5-(3-methylbutanoyl)-7-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-6-one
|
378.50
|
2.6
|
3
|
6
|
104.06
|
6
|
|
|
[(2R,3S,4S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-[(R)-(4-hydroxy-3,5-dimethoxyphenyl)-methoxymethyl]oxolan-3-yl]methyl acetate
|
492.50
|
2.3
|
2
|
10
|
122.14
|
11
|
|
|
Eudebeiolide B
|
262.30
|
1.3
|
1
|
4
|
63.6
|
0
|
|
|
5,7-Dihydroxy-8-(3-methylbut-2-enyl)-2-propan-2-ylchromen-4-one
|
288.34
|
4.4
|
2
|
4
|
70.67
|
3
|
|
|
(3R,4R)-4-(4-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)oxolan-2-one
|
314.30
|
2.9
|
1
|
5
|
64.99
|
4
|
|
|
(1S,13S,16S,18S)-18-methoxy-15-methyl-12-(2-phenylethyl)-5,7-dioxa-12,15-diazapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-14-one
|
432.50
|
3.4
|
0
|
5
|
51.24
|
4
|
|
|
(4aR,5R,6S,8R,8aR)-6,8-dihydroxy-3,5,8a-trimethyl-4,4a,5,6,7,8-hexahydrobenzo[f][1]benzofuran-2-one
|
264.32
|
1.3
|
2
|
4
|
66.76
|
0
|
|
|
(2R,11bS)-2,7,11-trihydroxy-3,4,9,11b-tetramethyl-1,2-dihydronaphtho[2,1-f][1]benzofuran-6-one
|
340.40
|
2.7
|
3
|
5
|
90.9
|
0
|
|
|
(5S,7R,8R)-7-methoxy-3-methyl-8-[(1S,3S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-4-enyl]-1,6-dioxaspiro[4.4]non-3-en-2-one
|
494.70
|
6.9
|
0
|
5
|
61.83
|
2
|
|
|
[(3aR,4R,6E,9S,10Z,11aR)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
|
420.50
|
0.6
|
2
|
8
|
119.36
|
7
|
|
|
(4aR,7R,8S,8aS,9aR)-7,8,9a-trihydroxy-3,5,8a-trimethyl-4a,7,8,9-tetrahydro-4H-benzo[f][1]benzofuran-2-one
|
280.32
|
-0.4
|
3
|
5
|
86.99
|
0
|
|
|
(1S,3S,8R,9R,10S)-9-[(3S)-3-hydroxy-4-methylpent-4-enyl]-3-(2-hydroxypropan-2-yl)-9-methyl-6,10-bis(3-methylbut-2-enyl)-8-(2-methylpropanoyl)-4-oxatricyclo[6.3.1.01,5]dodec-5-ene-7,12-dione
|
568.80
|
7
|
2
|
6
|
100.9
|
11
|
|
|
(8S)-8-(3,4-dihydroxy-5-methoxyphenyl)-5-hydroxy-2-(4-hydroxy-4-methylpentyl)-2-methyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one
|
472.50
|
4
|
4
|
8
|
125.68
|
6
|
|
|
(4aR,6aR,7R,11aS,11bR)-6a,7-dihydroxy-8-(hydroxymethyl)-4,4,11b-trimethyl-1,2,3,4a,5,6,7,11a-octahydronaphtho[2,1-f][1]benzofuran-9-one
|
348.40
|
2.2
|
3
|
5
|
86.99
|
1
|
|
|
(1S,3S,8R,9R,10S)-8-acetyl-3-(2-hydroxypropan-2-yl)-9-methyl-6,10-bis(3-methylbut-2-enyl)-9-(4-methylpent-3-enyl)-4-oxatricyclo[6.3.1.01,5]dodec-5-ene-7,12-dione
|
524.70
|
7.1
|
1
|
5
|
80.67
|
9
|
|
|
[(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (2E,4E,6S,7S)-6,7-dihydroxytetradeca-2,4-dienoate
|
644.80
|
3.4
|
5
|
10
|
170.82
|
15
|
|
|
(1R,4R,5R,8S,9R,10S)-5-hydroxy-4-(2-hydroxypropan-2-yl)-9-methyl-1,10-bis(3-methylbut-2-enyl)-9-(4-methylpent-3-enyl)-8-(2-methylpropanoyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione
|
568.80
|
7.5
|
2
|
6
|
100.9
|
10
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl] (2E)-3,7-dimethylocta-2,6-dienoate
|
476.50
|
-0.4
|
6
|
11
|
175.37
|
9
|
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