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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(8R)-4,8-dimethyl-8,9-dihydronaphtho[2,1-f][1]benzofuran-7,11-dione
|
278.30
|
3.6
|
0
|
3
|
43.37
|
0
|
|
|
Obtusalin
|
442.70
|
7.6
|
2
|
2
|
40.46
|
2
|
|
|
(1S,3aS,5aS,5bR,7aR,9S,11aR,11bR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13b-tetradecahydrocyclopenta[a]chrysen-9-ol
|
442.70
|
7.4
|
2
|
2
|
40.46
|
2
|
|
|
2-(4-Hydroxyphenyl)-3,5,7-trimethoxy-4H-1-benzopyran-4-one
|
328.30
|
2.9
|
1
|
6
|
78.13
|
4
|
|
|
[(1S,4aS,6S,7R,7aS)-6-acetyloxy-7-(acetyloxymethyl)-7-hydroxy-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate
|
562.60
|
-1.6
|
5
|
14
|
207.74
|
13
|
|
|
[4,5,7,12-Tetraacetyloxy-6-(acetyloxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-8-yl] benzoate
|
632.70
|
2.8
|
0
|
13
|
167.03
|
14
|
|
|
[(1S,2R,4S,5R,6S,7S,8R,9R,12R)-4,5,7,12-tetraacetyloxy-6-(acetyloxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-8-yl] benzoate
|
632.70
|
2.8
|
0
|
13
|
167.03
|
14
|
|
|
[(1S,2R,4S,5R,6R,7S,9R,12R)-4,5,12-triacetyloxy-6-(acetyloxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
|
574.60
|
3.2
|
0
|
11
|
140.73
|
12
|
|
|
[11-Ethyl-9,16,18-trihydroxy-6,8-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate
|
495.60
|
-0.5
|
3
|
9
|
117.92
|
7
|
|
|
6-(6,7-dihydroxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-6H-furo[3,4-g][1,3]benzodioxol-8-one
|
355.30
|
2.1
|
2
|
7
|
88.46
|
1
|
|
|
Aflatoxin G1
|
328.27
|
1.8
|
0
|
7
|
84.2
|
1
|
|
|
10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carbaldehyde
|
440.70
|
7.4
|
1
|
2
|
37.3
|
1
|
|
|
(1S,2R,4aS,6aS,6bR,10S,12aR,12bR,14bS)-10-Hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carbaldehyde
|
440.70
|
7.3
|
1
|
2
|
37.3
|
1
|
|
|
Ursolic aldehyde
|
440.70
|
7.3
|
1
|
2
|
37.3
|
1
|
|
|
(6aR)-1-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
|
265.30
|
3
|
0
|
2
|
12.47
|
1
|
|
|
Dodecyl gallate
|
338.40
|
5.8
|
3
|
5
|
86.99
|
13
|
|
|
methyl 3-O-beta-glucopyranosyl-gallate
|
346.29
|
-1.3
|
6
|
10
|
166.14
|
5
|
|
|
[3-hydroxy-2,5-bis(4-hydroxyphenyl)-4,6-bis[[(Z)-3-[(2S,3S)-3-methyloxiran-2-yl]prop-2-enoyl]oxy]phenyl] (Z)-3-[(2S,3S)-3-methyloxiran-2-yl]prop-2-enoate
|
656.60
|
4.4
|
3
|
12
|
177.18
|
14
|
|
|
[2,5-bis(4-hydroxyphenyl)-3,4,6-tris[[(Z)-3-[(2S,3S)-3-methyloxiran-2-yl]prop-2-enoyl]oxy]phenyl] (Z)-3-[(2S,3S)-3-methyloxiran-2-yl]prop-2-enoate
|
766.70
|
4.9
|
2
|
14
|
195.78
|
18
|
|
|
Spiromentin b
|
434.40
|
2
|
3
|
8
|
122.52
|
3
|
|
|
(2'R,3'S)-3'-hydroxy-4,7-bis(4-hydroxyphenyl)-2'-methylspiro[1,3-benzodioxole-2,6'-2,3-dihydropyran]-5,6-dione
|
434.40
|
2
|
3
|
8
|
122.52
|
2
|
|
|
4,7-bis(4-hydroxyphenyl)spiro[1,3-benzodioxole-2,5'-2H-furan]-5,6-dione
|
390.30
|
2.2
|
2
|
7
|
102.29
|
2
|
|
|
Dihydroconiferin
|
344.36
|
-1.1
|
5
|
8
|
128.84
|
7
|
|
|
Coeloginin
|
314.29
|
3.1
|
2
|
6
|
89.13
|
2
|
|
|
Flavone base + 3O, C-Pen, C-Pen
|
534.50
|
-2.1
|
9
|
13
|
230.74
|
3
|
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