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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Nordextrorphan
|
243.34
|
2.6
|
2
|
2
|
32.26
|
0
|
|
|
(7S,8S,10R)-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3-diene-5,11-dione
|
246.30
|
2.9
|
0
|
3
|
47.28
|
1
|
|
|
(3-methoxyphenyl) (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
|
344.40
|
3.6
|
0
|
6
|
63.22
|
8
|
|
|
Oleiferin-f
|
344.40
|
4
|
2
|
5
|
68.15
|
6
|
|
|
17-Hydroxy-7,16-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),9,11,14,16,18-octaen-13-one
|
351.30
|
3
|
1
|
7
|
87.11
|
2
|
|
|
Lansiumarin A
|
352.40
|
3.9
|
0
|
5
|
69.65
|
7
|
|
|
Niazidin
|
354.40
|
0.4
|
4
|
8
|
156.29
|
5
|
|
|
methyl (2R,3R,7Z,9S)-5-oxo-2,9-bis(prop-1-en-2-yl)-4,14-dioxatricyclo[9.2.1.13,6]pentadeca-1(13),6(15),7,11-tetraene-12-carboxylate
|
354.40
|
4.7
|
0
|
5
|
65.74
|
4
|
|
|
(3R)-5-phenyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoic acid
|
356.40
|
-0.2
|
5
|
8
|
136.68
|
8
|
|
|
2-[(1S,2S,4S,6S,7R,8R,10R,11R)-6,8-dihydroxy-11-methyl-5-methylidene-13-azapentacyclo[9.3.3.24,7.01,10.02,7]nonadecan-13-yl]acetaldehyde
|
359.50
|
2.2
|
2
|
4
|
60.77
|
2
|
|
|
(1R,2R)-2-[2-hydroxy-4-(3-hydroxypropyl)phenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
|
364.40
|
1.3
|
5
|
7
|
119.61
|
9
|
|
|
Cudraphenone A
|
364.40
|
6
|
2
|
4
|
66.76
|
4
|
|
|
[2,4-Dihydroxy-5-(3-methylbut-2-enyl)phenyl]-[3-hydroxy-2-(3-methylbut-2-enyl)phenyl]methanone
|
366.40
|
6.6
|
3
|
4
|
77.76
|
6
|
|
|
(1S,2R,3S,4S,5R,9S,10S,13S,14S)-2,3,13-trihydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
|
368.50
|
1.5
|
5
|
6
|
118.22
|
2
|
|
|
[(1S,3R,10S,11R,16R)-11,15,15-trimethyl-6-oxo-2,7-dioxapentacyclo[8.8.0.01,3.04,8.011,16]octadeca-4,8-dien-5-yl]methyl acetate
|
372.50
|
3.2
|
0
|
5
|
65.13
|
3
|
|
|
[(3R,4S)-3,4-dihydroxy-4-(7-methoxy-2-oxochromen-8-yl)-2-methylidenebutyl] 3-methylbutanoate
|
376.40
|
2.2
|
2
|
7
|
106.2
|
9
|
|
|
sartol acetate B
|
380.50
|
2.9
|
2
|
5
|
83.83
|
4
|
|
|
N-[(1S,2R)-2-(4-hydroxy-3-methoxyphenyl)-9,13-dioxo-3-oxa-12-azatricyclo[6.5.1.04,14]tetradeca-4(14),5,7-trien-7-yl]formamide
|
382.40
|
1.3
|
3
|
6
|
113.96
|
3
|
|
|
methyl (4S,4aS,6aR,7S,11aS,11bR)-7-ethoxy-4a-hydroxy-4,7,11b-trimethyl-1,2,3,5,6,6a,11,11a-octahydronaphtho[2,1-f][1]benzofuran-4-carboxylate
|
390.50
|
4
|
1
|
5
|
68.9
|
4
|
|
|
Dulxanthone E
|
398.40
|
3.8
|
0
|
7
|
76.36
|
4
|
|
|
5-Hydroxy-7-methoxyindan-1-spiro cyclohexane
|
232.32
|
4.7
|
1
|
2
|
29.46
|
1
|
|
|
7-Hydroxy-5-methoxyindan-1-spiro-cyclohexane
|
232.32
|
4.7
|
1
|
2
|
29.46
|
1
|
|
|
(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(E,2R)-5-propan-2-ylhept-5-en-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
|
410.70
|
8.8
|
0
|
1
|
17.07
|
5
|
|
|
(4S,4aR,7aS,7bR)-4-hydroxy-6,6,7b-trimethyl-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,2,4,4a,5,7a-hexahydrocyclobuta[g]inden-7-one
|
412.50
|
-1.2
|
5
|
8
|
136.68
|
4
|
|
|
2-Hydroxyanthraquinone
|
224.21
|
3
|
1
|
3
|
54.37
|
0
|
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