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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Myrcenol
|
154.25
|
3
|
1
|
1
|
20.23
|
5
|
|
|
kaempferol 3-O-alpha-L-[6'''-p-coumaroyl-beta-D-glucopyranosyl-(1->2)-rhamnopyranoside]-7-O-beta-D-glucopyranoside
|
902.80
|
-0.4
|
12
|
22
|
354.65
|
13
|
|
|
[(1S,2S,3'S,4S,4'S,6S,7R,8R,9S,12S,13R,14R,16R)-14-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5S,6S)-5-acetyloxy-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3',16-dihydroxy-9,13-dimethyl-5'-methylidene-4'-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-7-yl]methyl acetate
|
1249.30
|
-4.6
|
13
|
29
|
426.35
|
16
|
|
|
D-Ribose
|
150.13
|
-2.5
|
4
|
5
|
90.15
|
0
|
|
|
Cleroindicin C
|
156.18
|
-0.7
|
1
|
3
|
46.53
|
0
|
|
|
(2R)-1-[(2R)-Piperidin-2-yl]pentan-2-ol
|
171.28
|
1.7
|
2
|
2
|
32.26
|
4
|
|
|
2-Heptanol
|
116.20
|
2.3
|
1
|
1
|
20.23
|
4
|
|
|
Methyl (3R)-3,7-dimethyloct-6-enoate
|
184.27
|
3.3
|
0
|
2
|
26.3
|
6
|
|
|
1-Methoxy-9h-pyrido[3,4-b]indole
|
198.22
|
2.6
|
1
|
2
|
37.91
|
1
|
|
|
Epi-bicyclosesquiphellandrene
|
204.35
|
4.7
|
0
|
0
|
0
|
1
|
|
|
1,2-Dehydro-alpha-cyperone
|
216.32
|
4
|
0
|
1
|
17.07
|
1
|
|
|
methyl 4-[(2S)-2-hydroxybut-3-ynoxy]benzoate
|
220.22
|
1.7
|
1
|
4
|
55.76
|
5
|
|
|
(4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carbaldehyde
|
220.35
|
4.2
|
0
|
1
|
17.07
|
1
|
|
|
(2S,4aR,5S,8S)-2,5-dimethyl-8-propan-2-yl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-ol
|
222.37
|
3.5
|
1
|
1
|
20.23
|
1
|
|
|
Benzenemethanol, 2-[[(2-aminophenyl)methyl]amino]-
|
228.29
|
2.4
|
3
|
3
|
58.28
|
4
|
|
|
8,9-Dehydrothymyl tiglate
|
230.30
|
4.6
|
0
|
2
|
26.3
|
4
|
|
|
(4S)-4-hydroxy-4-[(E,3R)-3-hydroxybut-1-enyl]-3-(hydroxymethyl)-5,5-dimethylcyclohex-2-en-1-one
|
240.29
|
-0.2
|
3
|
4
|
77.76
|
3
|
|
|
(3R,3aS,6S,6aS,9aR,9bS)-3,6,9-trimethyl-3,3a,4,5,6,6a,9a,9b-octahydroazuleno[4,5-b]furan-2,7-dione
|
248.32
|
2.2
|
0
|
3
|
43.37
|
0
|
|
|
7-hydroxy-5-(hydroxymethyl)-2-[(2S)-2-hydroxypropyl]chromen-4-one
|
250.25
|
0.3
|
3
|
5
|
90.9
|
3
|
|
|
(1R,4R,5S,9S,13R,14S)-4,13-dimethyl-8-methylidene-10,11-dioxatricyclo[7.4.1.05,14]tetradecan-12-one
|
250.33
|
3.7
|
0
|
3
|
35.53
|
0
|
|
|
(E)-2-Propenyl [3-(2-propenylthio)-2-propenyl] sulfate
|
250.30
|
1.8
|
0
|
5
|
86.28
|
9
|
|
|
(3S,6E,8R,9R)-3,7,11-trimethyldodeca-1,6,10-triene-3,8,9-triol
|
254.36
|
2.4
|
3
|
3
|
60.69
|
7
|
|
|
Isoelacomine
|
260.33
|
1.7
|
3
|
3
|
61.36
|
2
|
|
|
2-Phenylfuro[2,3-h]chromen-4-one
|
262.26
|
3.6
|
0
|
3
|
43.35
|
1
|
|
|
6,7-Dehydroferruginol
|
284.40
|
6.5
|
1
|
1
|
20.23
|
1
|
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