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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1R,3S)-5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
|
407.50
|
5
|
2
|
5
|
59.95
|
4
|
|
|
Andirobin
|
468.50
|
3.3
|
0
|
7
|
95.34
|
5
|
|
|
1-[3-Methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
|
328.31
|
-1.4
|
4
|
8
|
125.68
|
5
|
|
|
Anhydroophiobolin A
|
382.50
|
4.5
|
0
|
3
|
43.37
|
2
|
|
|
Anhydroepiophiobolin A
|
382.50
|
4.5
|
0
|
3
|
43.37
|
2
|
|
|
(1R,2S,4S,5S,6R,7S,8S,11S)-4,5,7,11-tetrahydroxy-2,7-dimethylspiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-2',10-dione
|
328.31
|
-1.9
|
4
|
8
|
133.52
|
0
|
|
|
(1S,2R,4R,5R,6S,7R,8S,11R)-4,5,7,11-tetrahydroxy-2,7-dimethylspiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-2',10-dione
|
328.31
|
-1.9
|
4
|
8
|
133.52
|
0
|
|
|
2,2,3-trimethyl-5-[(E)-prop-1-enyl]-3H-1-benzofuran
|
202.29
|
3.9
|
0
|
1
|
9.23
|
1
|
|
|
Apoatropin
|
271.35
|
3.6
|
0
|
3
|
29.54
|
4
|
|
|
(6aS)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,10-diol
|
297.30
|
2.3
|
2
|
4
|
52.93
|
1
|
|
|
1-Anthrol
|
194.23
|
4.1
|
1
|
1
|
20.23
|
0
|
|
|
(3S,3aS,9R,9aS,9bS)-9-hydroxy-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2-one
|
248.32
|
1.4
|
1
|
3
|
46.53
|
0
|
|
|
(3R,3aS,9S,9aS,9bS)-9-hydroxy-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2-one
|
248.32
|
1.4
|
1
|
3
|
46.53
|
0
|
|
|
5-[(3S,5R,8R,9S,10S,13R,14S,17S)-3-hydroxy-10,13-dimethyl-15-oxo-1,2,3,4,5,6,7,8,9,11,12,14,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
|
384.50
|
3.9
|
1
|
4
|
67.51
|
1
|
|
|
(4S)-3,3,6-trimethylhepta-1,5-dien-4-ol
|
154.25
|
3.1
|
1
|
1
|
20.23
|
3
|
|
|
2-(5-Ethenyl-5-methyloxolan-2-yl)-4,4-dimethylhex-5-en-3-one
|
236.35
|
3.4
|
0
|
2
|
26.3
|
5
|
|
|
Cyperenone
|
218.33
|
3.4
|
0
|
1
|
17.07
|
0
|
|
|
(1R,7S,10R)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-en-3-one
|
218.33
|
3.4
|
0
|
1
|
17.07
|
0
|
|
|
Artocarpetin
|
300.26
|
1.7
|
3
|
6
|
100.13
|
2
|
|
|
Arundoin
|
440.70
|
9.5
|
0
|
1
|
9.23
|
2
|
|
|
Evomonoside
|
520.70
|
2.1
|
4
|
8
|
125.68
|
3
|
|
|
(3,4,6,9,14-Pentahydroxy-5,5,9,14-tetramethyl-16-tetracyclo[11.2.1.01,10.04,8]hexadecanyl) propanoate
|
426.50
|
1.3
|
5
|
7
|
127.45
|
3
|
|
|
(3-Acetyloxy-4,6,9,14,16-pentahydroxy-5,5,9,14-tetramethyl-2-tetracyclo[11.2.1.01,10.04,8]hexadecanyl) propanoate
|
484.60
|
0.9
|
5
|
9
|
153.75
|
5
|
|
|
(1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bR)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
|
488.70
|
5.7
|
4
|
5
|
97.99
|
2
|
|
|
2alpha,3alpha,24-Trihydroxyurs-12-en-28-oic acid
|
488.70
|
5.7
|
4
|
5
|
97.99
|
2
|
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