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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Paeonenoide C
|
442.60
|
4.4
|
3
|
4
|
77.76
|
1
|
|
|
2-Propenamide, 3-phenyl-
|
147.17
|
1.4
|
1
|
1
|
43.09
|
2
|
|
|
(1R,5R,8R)-8-[(8S,9S,10R,11S,12S,13S,14S,17R)-11,12-dihydroxy-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-5-methyl-4-methylidene-2,6-dioxabicyclo[3.3.1]nonan-3-one
|
468.60
|
3
|
2
|
6
|
93.06
|
1
|
|
|
(1S,2R,7S,9R,11R,12R,14S,16R,17R)-2,17-dimethyl-16-[(1R,4R,5R)-1-methyl-8-methylidene-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl]-8,13-dioxahexacyclo[9.8.0.02,7.07,9.012,14.012,17]nonadec-4-en-3-one
|
466.60
|
3
|
0
|
6
|
77.66
|
1
|
|
|
4,5-Dimethoxy-[1,3]dioxolo[4,5-h]chromen-8-one
|
250.20
|
1.7
|
0
|
6
|
67.13
|
2
|
|
|
Butyl chlorogenate
|
410.40
|
1.2
|
5
|
9
|
153.75
|
9
|
|
|
henricioside H2
|
638.80
|
1.5
|
6
|
10
|
158.3
|
9
|
|
|
(2S)-2-(2,3-dimethoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
|
344.40
|
2.8
|
0
|
6
|
63.22
|
5
|
|
|
5-Hydroxy-7,2',3'-trimethoxyflavone
|
328.30
|
2.4
|
1
|
6
|
78.13
|
4
|
|
|
2-(3-Hydroxy-5-methoxyphenyl)-3-methoxyfuro[2,3-h]chromen-4-one
|
338.30
|
3.4
|
1
|
6
|
82.04
|
3
|
|
|
2-(3,5-Dimethoxyphenyl)-3-methoxyfuro[2,3-h]chromen-4-one
|
352.30
|
3.7
|
0
|
6
|
71.04
|
4
|
|
|
6-Hydroxy-3-methoxy-2-phenylfuro[2,3-h]chromen-4-one
|
308.30
|
3.4
|
1
|
5
|
72.81
|
2
|
|
|
3,9-Dihydroxy-4-methoxy-[1]benzofuro[3,2-c]chromen-6-one
|
298.25
|
2.7
|
2
|
6
|
93.04
|
1
|
|
|
[(3aR,4R,6aR,9S,9aS,9bS)-6-formyl-9-hydroxy-9-(hydroxymethyl)-3-methylidene-2-oxo-4,6a,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-methylpropanoate
|
364.40
|
0.5
|
2
|
7
|
110.13
|
5
|
|
|
(1S,3aR,4S,8aR)-1,4-dimethyl-2,3,3a,5,6,8a-hexahydroazulene-1,4-diol
|
196.29
|
1.4
|
2
|
2
|
40.46
|
0
|
|
|
Ajugapantin A
|
550.60
|
1.6
|
0
|
11
|
144.03
|
12
|
|
|
Ajugamarin C1
|
466.50
|
0.5
|
2
|
9
|
131.89
|
8
|
|
|
(1R,2S,4aR,6S,8aS)-1-[2-[(1R,2S,4aR,6S,8aS)-2,6-dihydroxy-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl]ethyl]-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene-2,6-diol
|
450.70
|
5.1
|
4
|
4
|
80.92
|
3
|
|
|
(1R,2S,4aR,6R,8aS)-1-[2-[(1R,2S,4aR,6S,8aS)-2,6-dihydroxy-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl]ethyl]-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene-2,6-diol
|
450.70
|
5.1
|
4
|
4
|
80.92
|
3
|
|
|
(2R,4R,5R,6S,8S)-2-hydroxy-5-methyl-2,6,8-tris(3-methylbut-2-enyl)-5-(4-methylpent-3-enyl)-4-(2-methylpropanoyl)cyclooctane-1,3-dione
|
526.80
|
9.6
|
1
|
4
|
71.44
|
11
|
|
|
(2R,3R)-2-[5-[(1R,5S,6R)-5-(2,4-dihydroxyphenyl)-6-(5-hydroxy-2,2-dimethylchromene-6-carbonyl)-3-methylcyclohex-2-en-1-yl]-2-hydroxyphenyl]-3,7-dihydroxy-2,3-dihydrochromen-4-one
|
676.70
|
6
|
6
|
10
|
173.98
|
5
|
|
|
2-[3-[(1R,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-4-hydroxyphenyl]-3,7-dihydroxychromen-4-one
|
608.60
|
5.4
|
7
|
10
|
188.89
|
5
|
|
|
Delphinidin 3-arabinoside cation
|
435.40
|
|
8
|
10
|
191.6
|
3
|
|
|
Cyanidin 3-arabinoside cation
|
419.40
|
|
7
|
9
|
171.37
|
3
|
|
|
Peonidin 3-arabinoside cation
|
433.40
|
|
6
|
9
|
160.37
|
4
|
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