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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3,8-Dihydroxy-1-methylanthraquinone-2-carboxylic acid
|
298.25
|
3.2
|
3
|
6
|
111.9
|
1
|
|
|
Marmelo oxide B
|
152.23
|
2.9
|
0
|
1
|
9.23
|
2
|
|
|
Marmelo oxide A
|
152.23
|
2.9
|
0
|
1
|
9.23
|
2
|
|
|
2,3,12,15,16-Pentahydroxy-17-(hydroxymethyl)-9,13-dimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione
|
426.40
|
-2.9
|
6
|
10
|
173.98
|
1
|
|
|
bruceineE
|
412.40
|
-2.8
|
6
|
9
|
156.91
|
0
|
|
|
4-(2,5,5,8a-Tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)butan-2-one
|
262.40
|
4.6
|
0
|
1
|
17.07
|
3
|
|
|
2-(4,7-Dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl)propan-1-ol
|
222.37
|
3.9
|
1
|
1
|
20.23
|
2
|
|
|
Hallacridone
|
307.30
|
3.7
|
1
|
5
|
72.44
|
1
|
|
|
(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-Dodecamethyloctatetraconta-2,6,10,14,18,22,26,30,34,38,42,46-dodecaen-1-OL
|
835.40
|
21.5
|
1
|
1
|
20.23
|
34
|
|
|
(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-2,6,10,14,18,22,26,30,34,38,42,46-dodecaen-1-ol
|
835.40
|
21.5
|
1
|
1
|
20.23
|
34
|
|
|
(2Z,6Z,10Z,14Z,18Z,22E,27R,31R)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22-hexaen-1-ol
|
637.10
|
17.5
|
1
|
1
|
20.23
|
28
|
|
|
Glycinoprenol 10
|
705.20
|
19.3
|
1
|
1
|
20.23
|
31
|
|
|
(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30E,35R,39R)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30-octaen-1-ol
|
773.30
|
21.2
|
1
|
1
|
20.23
|
34
|
|
|
3-Methylsulfanyl-4,5-dihydrobenzo[e][2]benzothiole
|
232.40
|
4.4
|
0
|
2
|
53.54
|
1
|
|
|
(2S)-7,8-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
|
272.25
|
1.8
|
3
|
5
|
86.99
|
1
|
|
|
1-Ethoxyethylbenzene;methanamine
|
181.27
|
|
1
|
2
|
35.25
|
3
|
|
|
2-Propenoic acid, 3-(4-hydroxyphenyl)-, 2-phenylethyl ester, (2E)-
|
268.31
|
4.2
|
1
|
3
|
46.53
|
6
|
|
|
methyl (E)-icos-2-enoate
|
324.50
|
9.5
|
0
|
2
|
26.3
|
18
|
|
|
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-3-hydroxy-N-sulfooxyhex-5-enimidothioate
|
403.40
|
-1.4
|
6
|
12
|
220.02
|
9
|
|
|
But-3-enylglucosinolate
|
373.40
|
-0.8
|
5
|
11
|
199.79
|
8
|
|
|
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-N-sulfooxyhex-5-enimidothioate
|
387.40
|
-0.4
|
5
|
11
|
199.79
|
9
|
|
|
2,5,5,8a-tetramethyl-1-[(1E,3E)-3-methylpenta-1,3-dienyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
|
290.50
|
6.2
|
1
|
1
|
20.23
|
2
|
|
|
(1S,4R,7S,10S,13S,16S)-24-hydroxy-7-(hydroxymethyl)-10-[(4-methoxyphenyl)methyl]-4,9,13,15,29-pentamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone
|
772.80
|
2.5
|
5
|
10
|
207.15
|
4
|
|
|
(1S,4R,7S,10R,13S,16S)-7-(hydroxymethyl)-24-methoxy-10-[(4-methoxyphenyl)methyl]-4,9,13,15,29-pentamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone
|
786.90
|
2.8
|
4
|
10
|
196.15
|
5
|
|
|
(1S,4R,7S,10S,13S,16S)-7-(hydroxymethyl)-24-methoxy-10-[(4-methoxyphenyl)methyl]-4,9,13,15,29-pentamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone
|
786.90
|
2.8
|
4
|
10
|
196.15
|
5
|
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