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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1S,3S,4R,4aR,7R,8R,8aS)-8-ethoxy-3,7-dihydroxy-3,4,8,8a-tetramethyl-4-[(E)-2-(5-oxo-2H-furan-3-yl)ethenyl]-1,2,4a,5,6,7-hexahydronaphthalen-1-yl] benzoate
|
498.60
|
3.6
|
2
|
7
|
102.29
|
7
|
|
|
[(1S,3S,4R,4aR,7R,8R,8aS)-3,7-dihydroxy-8-methoxy-3,4,8,8a-tetramethyl-4-[(E)-2-(5-oxo-2H-furan-3-yl)ethenyl]-1,2,4a,5,6,7-hexahydronaphthalen-1-yl] benzoate
|
484.60
|
3.2
|
2
|
7
|
102.29
|
6
|
|
|
Lactinolide
|
200.23
|
0.2
|
2
|
4
|
66.76
|
0
|
|
|
6-[[8a-[3-[5-[3,4-Dihydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
|
1221.30
|
-1
|
15
|
27
|
429.89
|
13
|
|
|
3-(4-Hydroxy-3-methoxyphenyl)propionic acid
|
196.20
|
0.7
|
2
|
4
|
66.76
|
4
|
|
|
3',4',5'-Trimethoxyacetophenone
|
210.23
|
1.2
|
0
|
4
|
44.76
|
4
|
|
|
Catechin 5-glucoside
|
452.40
|
-1.4
|
8
|
11
|
189.53
|
4
|
|
|
3-Glucogallic acid
|
332.26
|
-1.7
|
7
|
10
|
177.14
|
4
|
|
|
Torachrysone 8-glucoside
|
408.40
|
1.2
|
5
|
9
|
145.91
|
5
|
|
|
N-Benzyloxycarbonylglycine
|
209.20
|
1
|
2
|
4
|
75.63
|
5
|
|
|
2-Heptaprenylhydroquinone
|
586.90
|
14.3
|
2
|
2
|
40.46
|
20
|
|
|
5,6-Dimethoxyflavone
|
282.29
|
3.1
|
0
|
4
|
48.67
|
3
|
|
|
3-[Glycerolylphosphonyl]-[1,2-DI-phytanyl]glycerol
|
807.20
|
15.3
|
3
|
8
|
124.49
|
40
|
|
|
Flavonol base + 4O, O-dHex, O-dHex
|
594.50
|
-0.4
|
9
|
15
|
249.2
|
5
|
|
|
4-Hydroxyundecyl docosanoate
|
510.90
|
14.2
|
1
|
3
|
46.53
|
31
|
|
|
1,3-dimethoxy-5-prop-2-enyl-2-[(2R)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxybenzene
|
402.50
|
5.2
|
0
|
6
|
55.38
|
11
|
|
|
Beilschmin B
|
432.50
|
4.3
|
0
|
7
|
64.61
|
8
|
|
|
methyl (2E)-2-[(1S)-1-hydroxy-2-oxopropyl]tetradeca-2,13-dienoate
|
310.40
|
4.8
|
1
|
4
|
63.6
|
14
|
|
|
Coniferyl p-hydroxybenzoate
|
300.30
|
3.2
|
2
|
5
|
75.99
|
6
|
|
|
[(2R,4aS,6aS,8aR,10S,12aS,14aS,14bR)-10-acetyloxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,13,14,14b-tetradecahydropicen-2-yl]methyl acetate
|
526.80
|
8.4
|
0
|
4
|
52.6
|
5
|
|
|
3,4-Dihydroxycinnamoyl-(Z)-2-(3,4-dihydroxyphenyl)ethenol
|
314.29
|
2.8
|
4
|
6
|
107.22
|
5
|
|
|
4',5,8-Trihydroxyflavanone
|
272.25
|
2.4
|
3
|
5
|
86.99
|
1
|
|
|
(2R,3S)-8-[(2R,3S,4S)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
|
546.50
|
3.1
|
8
|
10
|
180.3
|
3
|
|
|
5-Hydroxy-7,8,4'-trimethoxyflavone
|
328.30
|
3.3
|
1
|
6
|
78.13
|
4
|
|
|
CID 14353383
|
770.70
|
-2.1
|
11
|
20
|
317.35
|
9
|
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