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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Ketohakonanol
|
428.70
|
8.3
|
1
|
2
|
37.3
|
0
|
|
|
17-Methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,14,17,19-heptaen-16-one
|
322.30
|
2.8
|
1
|
4
|
49.2
|
1
|
|
|
methyl (1'S,2R,7'R,8'R,9'R)-9'-[(1S)-1-hydroxyethyl]-5-methoxy-3-oxospiro[1H-indole-2,6'-3-azatricyclo[5.3.1.03,8]undecane]-7'-carboxylate
|
400.50
|
1.8
|
2
|
7
|
88.1
|
4
|
|
|
2-[(1S,2S,3R,7S)-6,8-dimethyl-3-tricyclo[4.4.0.02,7]dec-8-enyl]propan-2-ol
|
220.35
|
2.9
|
1
|
1
|
20.23
|
1
|
|
|
2-(3,4-dimethoxyphenyl)-3,5-dihydroxy-7-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
522.50
|
1
|
6
|
13
|
197.74
|
7
|
|
|
[(1R,6S,7R,8R,11R,12S,14R,15S,16R)-6-benzamido-15-[(1S)-1-(dimethylamino)ethyl]-7-formyl-7,12,16-trimethyl-14-tetracyclo[9.7.0.03,8.012,16]octadec-3-enyl] acetate
|
562.80
|
6.7
|
1
|
5
|
75.71
|
7
|
|
|
(1R,4S,5R,8R,10R,11S,13R,14R,18S,21S)-10,11-dihydroxy-4,5,9,9,13,20,20-heptamethyl-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tetracos-16-en-23-one
|
470.70
|
6
|
2
|
4
|
66.76
|
0
|
|
|
(3S,4aR,6aR,6aR,6bR,8S,8aS,12S,12aR,14aR,14bR)-11-(hydroxymethyl)-4,4,6a,6b,8a,12,14b-heptamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picene-3,8-diol
|
458.70
|
6.3
|
3
|
3
|
60.69
|
1
|
|
|
(3S,4aR,6aR,6bS,8S,8aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,13,14,14a-tetradecahydropicene-3,8-diol
|
458.70
|
6.7
|
3
|
3
|
60.69
|
1
|
|
|
(1R,3aR,5aR,5bR,7aS,9S,11S,11aR,11bS,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-9,11-diol
|
442.70
|
8.9
|
2
|
2
|
40.46
|
1
|
|
|
(2S,3R,10R,13R,17S)-2,3,6-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,4,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-one
|
476.60
|
1
|
6
|
7
|
138.45
|
5
|
|
|
Acrostalic acid
|
280.36
|
2.8
|
2
|
4
|
74.6
|
3
|
|
|
methyl (E)-3-[(1R,2R,7S,8S,12S)-7-(furan-3-yl)-1,8,15,15-tetramethyl-5,17,18-trioxo-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadecan-12-yl]prop-2-enoate
|
498.50
|
1.7
|
0
|
9
|
121.64
|
4
|
|
|
methyl (E)-3-[(1R,2S,3R,6R,7R,10S,11S,14S)-11-(furan-3-yl)-3-hydroxy-2,6,10-trimethyl-4,13-dioxo-5-propan-2-ylidene-12,15-dioxatetracyclo[8.5.0.01,14.02,7]pentadecan-6-yl]prop-2-enoate
|
484.50
|
3.6
|
1
|
8
|
115.57
|
4
|
|
|
[(1R,2R,6S,7S,8R,10S,11S,12R,14S,16S,17R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-16-isopropenyl-4,18-dimethyl-5-oxo-14-phenyl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl] (2E,4E,6E)-deca-2,4,6-trienoate
|
646.70
|
4.2
|
3
|
10
|
144.28
|
10
|
|
|
[(1R,2R,6S,7S,8R,10S,11S,12R,14S,16S,17R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl] (2E,4E)-deca-2,4-dienoate
|
648.70
|
4.6
|
3
|
10
|
144.28
|
11
|
|
|
(1R)-1-[(2S,4aS,4bR,8aR,10aS)-2,4a,8a-trimethyl-8-methylidene-1,3,4,4b,5,6,7,9,10,10a-decahydrophenanthren-2-yl]ethane-1,2-diol
|
306.50
|
4.8
|
2
|
2
|
40.46
|
2
|
|
|
(4aS,5R,6S,8aS)-5-[(E)-4-carboxy-3-methylbut-3-enyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
|
334.40
|
5.5
|
2
|
4
|
74.6
|
5
|
|
|
methyl (1S,14R,15Z,18S)-15-ethylidene-17-methyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
|
352.40
|
2.4
|
1
|
4
|
62.4
|
2
|
|
|
(1S,2S,4S,5R,10R,11S,14R,15R,18S)-5-hydroxy-15-[(1S)-1-[(2S,3S)-3-hydroxy-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one
|
470.60
|
3.6
|
2
|
6
|
96.36
|
2
|
|
|
(2S,3S)-3-hydroxy-2-[(1R)-1-[(8S,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1-oxo-7,8,9,11,12,14,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one
|
470.60
|
2.9
|
3
|
6
|
104.06
|
3
|
|
|
(1R,16S,20S,22S)-5,22-dihydroxy-8-methoxy-24-azapentacyclo[14.7.1.12,6.17,11.020,24]hexacosa-2(26),3,5,7,9,11(25)-hexaen-14-one
|
421.50
|
3.6
|
2
|
5
|
70
|
1
|
|
|
(3R,3aS,4S,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-4,9-diol
|
460.70
|
7
|
3
|
3
|
60.69
|
1
|
|
|
(1R,6S,10R,11R,14S,16R,19R,20S,21S,24S)-14,24-dihydroxy-4,4,11,15,15,19,20-heptamethyl-22-oxahexacyclo[19.2.1.01,6.07,20.010,19.011,16]tetracos-7-en-23-one
|
470.70
|
6.1
|
2
|
4
|
66.76
|
0
|
|
|
[(3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
|
482.80
|
10
|
0
|
2
|
26.3
|
7
|
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