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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
6-Methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-4-one
|
205.21
|
0.8
|
0
|
4
|
38.77
|
0
|
|
|
Lasiodonin
|
364.40
|
-0.1
|
4
|
6
|
107.22
|
0
|
|
|
CID 12305580
|
406.50
|
0.7
|
3
|
7
|
113.29
|
2
|
|
|
2-[(1R,2R,3E)-3-(bromomethylidene)-1,2-dimethylcyclopentyl]-5-methylphenol
|
295.21
|
4.5
|
1
|
1
|
20.23
|
1
|
|
|
CID 12305611
|
342.40
|
2.7
|
2
|
4
|
58.92
|
2
|
|
|
[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxybenzoate
|
568.50
|
1.8
|
7
|
13
|
216.58
|
7
|
|
|
15-cis-beta-Carotene
|
536.90
|
13.5
|
0
|
0
|
0
|
10
|
|
|
1,3,3-trimethyl-2-[(1Z,3Z,5Z,7Z,9Z,11Z,13Z,15Z,17Z)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
|
536.90
|
13.5
|
0
|
0
|
0
|
10
|
|
|
Isocarthamin
|
450.40
|
-0.3
|
7
|
11
|
186.37
|
4
|
|
|
(1S,6R,7R)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undec-2-ene
|
204.35
|
4.9
|
0
|
0
|
0
|
0
|
|
|
Sisalagenin
|
430.60
|
4.8
|
1
|
4
|
55.76
|
0
|
|
|
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18R)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
|
430.60
|
4.8
|
1
|
4
|
55.76
|
0
|
|
|
(S,Z)-2-Isopropyl-5-methyl-9-methylenecyclodec-5-en-1-one
|
220.35
|
3.4
|
0
|
1
|
17.07
|
1
|
|
|
Preisocalamendiol
|
220.35
|
3.4
|
0
|
1
|
17.07
|
1
|
|
|
Pretetramid
|
351.30
|
4.4
|
6
|
6
|
144.24
|
1
|
|
|
Hypargenin C
|
314.40
|
5
|
1
|
3
|
54.37
|
1
|
|
|
Preskimmianine
|
303.35
|
2.9
|
1
|
4
|
60.55
|
5
|
|
|
Longispinogenin
|
458.70
|
7
|
3
|
3
|
60.69
|
1
|
|
|
1-[(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
|
480.60
|
4.9
|
1
|
6
|
54.4
|
6
|
|
|
Alnusin
|
300.26
|
2.8
|
3
|
6
|
100.13
|
2
|
|
|
Aloin A
|
418.40
|
-0.1
|
7
|
9
|
167.91
|
3
|
|
|
(10R)-1,8-Dihydroxy-3-(hydroxymethyl)-10-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one
|
418.40
|
-0.1
|
7
|
9
|
167.91
|
3
|
|
|
9,10-Dihydroxy-5a,5b,8,8,11a-pentamethyl-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-3a-carboxylic acid
|
472.70
|
7.2
|
3
|
4
|
77.76
|
2
|
|
|
(1S,11R,18S)-4,5,15,16-tetramethoxy-10-methyl-19-oxa-10-azatetracyclo[9.8.0.02,7.012,17]nonadeca-2,4,6,12(17),13,15-hexaen-18-ol
|
401.50
|
2.1
|
1
|
7
|
69.62
|
4
|
|
|
(2S,3R)-3,5-dihydroxy-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one
|
286.28
|
2.5
|
2
|
5
|
75.99
|
2
|
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