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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Tropolone
|
122.12
|
0.5
|
1
|
2
|
37.3
|
0
|
|
|
(4-hydroxy-2,6-dimethoxyphenyl)-[3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methanone
|
436.40
|
0.4
|
5
|
10
|
155.14
|
7
|
|
|
7-Hydroxy-6-(2-hydroxy-3-methylbut-3-enyl)-3-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)chromen-4-one
|
436.50
|
5.2
|
3
|
6
|
100.13
|
7
|
|
|
5alpha,8alpha-Epidioxysterol
|
442.70
|
7.2
|
1
|
3
|
38.69
|
4
|
|
|
(1R,3aR,5aR,5bR,7S,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-7,9-diol
|
442.70
|
8.5
|
2
|
2
|
40.46
|
1
|
|
|
(1R,2R,5R,8R,9R,12R,13R,16S)-8-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-9,13-dimethyl-18,19-dioxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-3-ene-2,16-diol
|
444.60
|
5.2
|
2
|
4
|
58.92
|
4
|
|
|
Catechin 7-O-beta-D-glucopyranoside
|
452.40
|
-1.4
|
8
|
11
|
189.53
|
4
|
|
|
Lucidadiol
|
456.70
|
6.7
|
2
|
3
|
57.53
|
5
|
|
|
9,10,16-Trihydroxyhexadecanoic acid
|
304.42
|
2.5
|
4
|
5
|
97.99
|
15
|
|
|
norquadrangularic acid A
|
462.60
|
5.2
|
4
|
6
|
115.06
|
5
|
|
|
(-)-Epicatechin gallate
|
442.40
|
1.5
|
7
|
10
|
177.14
|
4
|
|
|
20-Epikoetjapic acid
|
470.70
|
7.5
|
2
|
4
|
74.6
|
5
|
|
|
3-[(3S,3aS,5aS,6S,9aS,9bR)-3a,5a,9b-trimethyl-3-[(2R)-6-methylhept-5-en-2-yl]-7-propan-2-ylidene-2,3,4,5,6,8,9,9a-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propyl acetate
|
470.80
|
10.3
|
0
|
2
|
26.3
|
9
|
|
|
(1S,4aS,7S,7aS)-7-(benzoyloxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
|
480.50
|
0.5
|
5
|
11
|
172.21
|
8
|
|
|
(2Z)-2-[(3S,4S,5S,6R,10S)-4,10-dihydroxy-3-[(2E,4E)-1-hydroxy-10-methyl-6-methylideneundeca-2,4,9-trien-2-yl]-6-(3-hydroxypropyl)-10-methylspiro[4.5]decan-7-ylidene]propanal
|
486.70
|
4.2
|
4
|
5
|
97.99
|
11
|
|
|
1-O-methylnyasicoside
|
492.50
|
0.3
|
8
|
11
|
189.53
|
8
|
|
|
5,7-dihydroxy-2-[(2R,3R)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chromen-4-one
|
494.40
|
3.2
|
4
|
10
|
148.05
|
5
|
|
|
(3S)-3-hydroxy-5-[(E)-3-[3-hydroxy-5-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoxy]-3-methyl-5-oxopentanoic acid
|
502.50
|
-1.3
|
7
|
13
|
212.67
|
12
|
|
|
(1R,2R,4aS,6aR,6aS,6bR,8aR,10S,12aS,13R,14bS)-10-hydroxy-2-(hydroxymethyl)-13-methoxy-1,6a,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
|
502.70
|
5.4
|
3
|
5
|
86.99
|
3
|
|
|
Pannellin
|
506.50
|
3.1
|
2
|
9
|
112.91
|
6
|
|
|
[(1S,3S,4S,6R,7S,9R,10S,11S,13S)-3,6,7-triacetyloxy-5,5,9-trimethyl-14-methylidene-15-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
|
518.60
|
3.2
|
0
|
9
|
122.27
|
8
|
|
|
di-O-methallylmangostin
|
518.60
|
9.5
|
1
|
6
|
78.13
|
11
|
|
|
N-[2-(1H-indol-3-yl)ethyl]pentacosanamide
|
524.90
|
14
|
2
|
1
|
44.89
|
26
|
|
|
[(2R,3R)-3-(acetyloxymethyl)-4-(3,4,5-trimethoxyphenyl)-2-[(3,4,5-trimethoxyphenyl)methyl]butyl] acetate
|
534.60
|
4.3
|
0
|
10
|
107.98
|
17
|
|
|
3'-Hydroxydehydroaglaiastatin
|
540.60
|
2.3
|
2
|
8
|
112.27
|
5
|
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