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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Macrocarpal H
|
472.60
|
6
|
4
|
6
|
115.06
|
7
|
|
|
[(4R,4aR,5S,7R,8S,8aR)-8-[(2S,3aS,5S,6aR)-5-ethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-2-yl]-5-acetyloxy-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl acetate
|
480.60
|
3.4
|
0
|
8
|
92.82
|
8
|
|
|
Dulciol C
|
482.60
|
6.5
|
5
|
7
|
131.36
|
7
|
|
|
ethyl (2R,4aS,6aR,6aS,6bR,8aR,12aR,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-2-carboxylate
|
482.70
|
7.9
|
0
|
3
|
43.37
|
3
|
|
|
(2Z)-2-[(1R,3S,5R,6S,10R)-1,6-dihydroxy-10-(3-hydroxypropyl)-6-methyl-3-[(1E,3E,5E,7E)-2,6,10-trimethylundeca-1,3,5,7,9-pentaenyl]-2-oxaspiro[4.5]decan-9-ylidene]propanal
|
484.70
|
5.2
|
3
|
5
|
86.99
|
9
|
|
|
2-[(1S,2S,4aR,8R,8aS)-8-[[(3aS,5aR,9S,9aS,9bS)-5a,9-dimethyl-3-methylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-9-yl]oxy]-1-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enal
|
484.70
|
5.7
|
1
|
5
|
72.83
|
4
|
|
|
bis(1H-indol-3-ylmethyl)-dimethylazanium
|
304.40
|
3.5
|
2
|
0
|
31.58
|
4
|
|
|
(3R,4R,4aR,5R,6aR,6aS,6bR,10S,12aR,14bS)-3,4,5,10-tetrahydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carbaldehyde
|
488.70
|
4.5
|
4
|
5
|
97.99
|
1
|
|
|
Santene
|
122.21
|
2.2
|
0
|
0
|
0
|
0
|
|
|
(2S,3R,4S,5S,6R)-2-[[(1R,2R,4R,6R,7R,10R,11R,12S,14S)-6,14-dihydroxy-6,11,15,15-tetramethyl-16-oxapentacyclo[8.5.1.14,7.01,12.04,10]heptadecan-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
498.60
|
0.2
|
6
|
9
|
149.07
|
3
|
|
|
Methoxyphenylacetic acid
|
166.17
|
1.4
|
1
|
3
|
46.53
|
3
|
|
|
Avnxwypjfufaoz-ohnzcqhasa-
|
502.70
|
7.1
|
4
|
5
|
97.99
|
6
|
|
|
coumaroyl(3-OH)(-6)Glc(a1-2b)Tagf
|
504.40
|
-2.3
|
9
|
14
|
236.06
|
9
|
|
|
(2S)-3-(4-hydroxyphenyl)-2-[(E)-3-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxypropanoic acid
|
506.50
|
0.9
|
7
|
12
|
203.44
|
10
|
|
|
Tenuecyclamide C
|
506.60
|
1.7
|
3
|
10
|
220.89
|
3
|
|
|
(2S,3R,4R,5R,6S)-2-[[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-6-methyloxane-3,4,5-triol
|
508.50
|
-4.3
|
8
|
14
|
220.52
|
6
|
|
|
(1S,7aS,11aS)-1,5-dihydroxy-8,8,11a-trimethyl-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-6,7,7a,9,10,11-hexahydro-1H-naphtho[1,2-e][2]benzofuran-3-one
|
508.60
|
2
|
6
|
10
|
166.14
|
4
|
|
|
Ceanothetric acid
|
516.70
|
6.1
|
4
|
7
|
132.13
|
4
|
|
|
3-Phenylpiperidine
|
161.24
|
2
|
1
|
1
|
12.03
|
1
|
|
|
methyl (1R,2R,3S,3aR,8bS)-3a-(3,4-dimethoxyphenyl)-1,8b-dihydroxy-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate
|
522.50
|
3.2
|
2
|
9
|
112.91
|
8
|
|
|
o-Tolunitrile
|
117.15
|
2.2
|
0
|
1
|
23.79
|
0
|
|
|
methyl (1R,2R,3S,3aR,8bS)-3a-(1,3-benzodioxol-5-yl)-1-formyloxy-8b-hydroxy-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate
|
534.50
|
3.1
|
1
|
10
|
118.98
|
8
|
|
|
Dodecen-3-ol
|
184.32
|
4.7
|
1
|
1
|
20.23
|
9
|
|
|
(1S,4aS,6S,7R,7aS)-1-[(2S,3R,4S,5S,6R)-3-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
|
566.50
|
0.9
|
5
|
13
|
190.67
|
10
|
|
|
Fenchyl acetate
|
196.29
|
3.1
|
0
|
2
|
26.3
|
2
|
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