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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3-(2,4-Dihydroxyphenyl)-5,9-dihydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one
|
370.40
|
2.7
|
4
|
7
|
120.36
|
1
|
|
|
Lupisoflavone
|
368.40
|
4.6
|
3
|
6
|
100.13
|
4
|
|
|
(8R,21S)-16,26,27-trimethoxy-7,22-dimethyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.14,30.110,14.115,19.03,8.025,33.028,32]hexatriaconta-1(30),2,4(34),10(36),11,13,15,17,19(35),25(33),26,28(32)-dodecaen-13-ol
|
606.70
|
6
|
1
|
8
|
72.86
|
3
|
|
|
Pilocarpidine
|
194.23
|
1.1
|
1
|
3
|
54.98
|
3
|
|
|
GA15 (closed lactone form)
|
330.40
|
3.3
|
1
|
4
|
63.6
|
1
|
|
|
Gibberellin A21
|
362.40
|
1
|
3
|
7
|
121.13
|
2
|
|
|
Gibberellin A22
|
346.40
|
0.5
|
3
|
6
|
104.06
|
2
|
|
|
(1R,2R,5R,8R,9S,10S,11S,16S,17R)-16,17-dihydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylic acid
|
362.40
|
1.1
|
3
|
6
|
104.06
|
1
|
|
|
(1R,2R,5R,8R,9S,10R,11S,12R,13S)-12,13-dihydroxy-11-methyl-6-methylidene-4,16-dioxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
|
362.40
|
-0.8
|
3
|
7
|
121.13
|
1
|
|
|
(1R,2R,4S,5R,8R,9S,10R,11R)-4-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-12-ene-9-carboxylic acid
|
330.40
|
1.3
|
2
|
5
|
83.83
|
1
|
|
|
(1R,2R,4S,5R,8R,9S,10R,11S,14R)-4,14-dihydroxy-11-methyl-6-methylidene-12,16-dioxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
|
362.40
|
-0.4
|
3
|
7
|
121.13
|
1
|
|
|
(1R,2R,5S,8S,9S,10R,11S,12S,14R)-5,12,14-trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
|
364.40
|
-0.7
|
4
|
7
|
124.29
|
1
|
|
|
Gibberellin A45
|
332.40
|
1.4
|
2
|
5
|
83.83
|
1
|
|
|
(1R,2R,5R,8R,9S,10R,11S,12R,13R)-12,13-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
|
348.40
|
0.7
|
3
|
6
|
104.06
|
1
|
|
|
Gibberellin A49
|
364.40
|
-0.6
|
4
|
7
|
124.29
|
1
|
|
|
Gibberellin A52
|
378.40
|
-0.2
|
4
|
7
|
124.29
|
1
|
|
|
(1S,2S,3S,5S,8R,9S,10R,11S,12R,13S)-3,12,13-trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
|
364.40
|
-0.5
|
4
|
7
|
124.29
|
1
|
|
|
Gibberellin A58
|
348.40
|
0.3
|
3
|
6
|
104.06
|
1
|
|
|
Gibberellin A59
|
360.40
|
1
|
3
|
7
|
121.13
|
2
|
|
|
(1S,4R,4aR,8aR)-4-methoxy-4,7-dimethyl-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene
|
236.39
|
3.9
|
0
|
1
|
9.23
|
2
|
|
|
N-[(1S,3R,6S,8R,11S,12S,15S,16R)-15-[(1S)-1-(dimethylamino)ethyl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-N-methylbenzamide
|
504.80
|
8.6
|
0
|
2
|
23.55
|
4
|
|
|
Buxenone
|
369.60
|
5.9
|
1
|
2
|
29.1
|
1
|
|
|
N-[(1R,3R,6S,8R,11S,12S,15S,16R)-15-[(1S)-1-(dimethylamino)ethyl]-7,7,12,16-tetramethyl-18-oxo-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]benzamide
|
504.70
|
6.6
|
1
|
3
|
49.41
|
4
|
|
|
N-[(1S,3R,6S,8R,11S,12S,15S,16R)-15-[(1S)-1-(dimethylamino)ethyl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-N-methylacetamide
|
442.70
|
6.9
|
0
|
2
|
23.55
|
3
|
|
|
(8S)-1,2,3,4,8,9-Hexahydro-4,4,8-trimethylphenanthro[3,2-b]furan-7,11-dione
|
296.40
|
4.3
|
0
|
3
|
43.37
|
0
|
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