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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
4,2',4',alpha-Tetrahydroxydihydrochalcone
|
274.27
|
2.4
|
4
|
5
|
97.99
|
4
|
|
|
Ethyl, 2-phenyl-
|
105.16
|
3.1
|
0
|
0
|
0
|
1
|
|
|
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-6-hydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
416.70
|
7.2
|
2
|
2
|
40.46
|
5
|
|
|
methyl (1S,4aS,5S,6R,7R,7aR)-5,6-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
|
566.50
|
-0.3
|
5
|
13
|
190.67
|
10
|
|
|
methyl (1S,4aS,5S,6R,7S,7aS)-7-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-5,6-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
|
584.50
|
-1.6
|
8
|
15
|
242.13
|
10
|
|
|
(4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-6a-(hydroxymethyl)-4,4a,6b,8a,11,11,14a-heptamethyl-1,2,4,5,6,6a,7,8,9,10,12,12a,14,14b-tetradecahydropicene-3,13-dione
|
456.70
|
7.5
|
1
|
3
|
54.37
|
1
|
|
|
3-[[[(Carboxycarbonyl)amino]carbonyl]amino]-L-alanine
|
219.15
|
-3.9
|
5
|
7
|
158.82
|
4
|
|
|
(1R,3aS,6aS,7S,10aR)-7-methyl-4-methylidene-7-(4-methylpent-3-enyl)-3,3a,5,6,6a,8,9,10-octahydro-1H-benzo[h][2]benzofuran-1-ol
|
304.50
|
5.2
|
1
|
2
|
29.46
|
3
|
|
|
alpha-Turmerone
|
218.33
|
3.8
|
0
|
1
|
17.07
|
4
|
|
|
Isozedoarondiol
|
252.35
|
1.6
|
2
|
3
|
57.53
|
0
|
|
|
(3S,3aS,8S,8aS)-3,8-dihydroxy-3,8-dimethyl-5-propan-2-ylidene-1,2,3a,4,7,8a-hexahydroazulen-6-one
|
252.35
|
1.6
|
2
|
3
|
57.53
|
0
|
|
|
Phaeocaulisin E
|
252.35
|
1.6
|
2
|
3
|
57.53
|
0
|
|
|
2-Methyl-5-(6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol
|
238.37
|
3.3
|
2
|
2
|
40.46
|
4
|
|
|
3,3a-Dihydroxy-3,8-dimethyl-5-propan-2-ylidene-1,2,4,8a-tetrahydroazulen-6-one
|
250.33
|
1.3
|
2
|
3
|
57.53
|
0
|
|
|
8a-hydroxy-3,4a,5-trimethyl-5,6,7,8,9,9a-hexahydro-4H-benzo[f][1]benzofuran-2-one
|
250.33
|
2.2
|
1
|
3
|
46.53
|
0
|
|
|
[(4aR,5R,6S,8aS,9aR)-8a-hydroxy-9a-methoxy-3,4a,5-trimethyl-2-oxo-4,5,6,7,8,9-hexahydrobenzo[f][1]benzofuran-6-yl] (Z)-2-methylbut-2-enoate
|
378.50
|
2.6
|
1
|
6
|
82.06
|
4
|
|
|
(3aR,7S,8aS)-6-(1-hydroxy-3-oxobutyl)-7-methyl-3-methylidene-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one
|
264.32
|
0.8
|
1
|
4
|
63.6
|
3
|
|
|
6-(1-hydroxy-3-oxobutyl)-7-methyl-3-methylidene-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one
|
264.32
|
0.8
|
1
|
4
|
63.6
|
3
|
|
|
(1R,5S)-5-Methyl-alpha-methylene-4-(3-oxobutyl)-3-cycloheptene-1-acetic acid
|
250.33
|
2.5
|
1
|
3
|
54.37
|
5
|
|
|
4-Oxobedfordiaic acid
|
250.33
|
2.5
|
1
|
3
|
54.37
|
5
|
|
|
Xanthatin-1,5beta-epoxide (4)
|
262.30
|
1.4
|
0
|
4
|
55.9
|
2
|
|
|
Xanthatin-1,5alpha-epoxide (5)
|
262.30
|
1.4
|
0
|
4
|
55.9
|
2
|
|
|
8-Epi-xanthatin-1,5alpha-epoxide
|
262.30
|
1.4
|
0
|
4
|
55.9
|
2
|
|
|
2-[(3S,3aS,5R,8S,8aS)-3-hydroxy-3a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-azulen-5-yl]prop-2-enoic acid
|
252.35
|
3.2
|
2
|
3
|
57.53
|
2
|
|
|
2-[(2R,4aR,5R,8aS)-5-hydroxy-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid
|
250.33
|
2.6
|
2
|
3
|
57.53
|
2
|
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