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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1R,2S)-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,3,3-trimethylcyclohexane-1,2-diol
|
586.90
|
10.3
|
3
|
3
|
60.69
|
10
|
|
|
(1R,2S)-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,2R)-1,2-dihydroxy-2,6,6-trimethylcyclohexyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,3,3-trimethylcyclohexane-1,2-diol
|
604.90
|
9.7
|
4
|
4
|
80.92
|
10
|
|
|
Ipomoeaxanthin C1
|
586.90
|
10.5
|
2
|
3
|
49.69
|
9
|
|
|
(1R,2S)-2-[(1E,3E,5E,7E,9E,11E,13E,15E)-16-[(2S,7aR)-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl]-3,7,12-trimethylheptadeca-1,3,5,7,9,11,13,15-octaenyl]-1,3,3-trimethylcyclohexane-1,2-diol
|
586.90
|
10.5
|
2
|
3
|
49.69
|
9
|
|
|
4-Carboethoxy-6-hydroxy-2-quinolone
|
233.22
|
0.9
|
2
|
4
|
79.39
|
3
|
|
|
(3S,4aR,6aR,6aS,6bR,8aR,9S,10R,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
666.80
|
2.9
|
8
|
11
|
197.37
|
5
|
|
|
[(1S,3S,4S,4aR,8S)-8a-(acetyloxymethyl)-4-[(2S,5R)-5-ethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-3-hydroxy-3,4-dimethylspiro[1,2,4a,5,6,7-hexahydronaphthalene-8,2'-oxirane]-1-yl] pyridine-3-carboxylate
|
559.60
|
2.5
|
1
|
10
|
125.94
|
9
|
|
|
[(1R,2S,4R,8S,9R,11S)-1-methoxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate
|
366.40
|
3.3
|
0
|
6
|
71.06
|
4
|
|
|
[(1R,2R,4S,6S,8S,9Z,11R)-8-hydroxy-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl] 2-methylpropanoate
|
350.40
|
1.7
|
1
|
6
|
85.36
|
3
|
|
|
[(1R,2Z,4R,8R,9R,11R)-1-hydroxy-12-methoxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-2,12-dien-9-yl] 2-methylpropanoate
|
378.40
|
1.4
|
1
|
7
|
91.29
|
4
|
|
|
5-[(2R,3S)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol
|
328.40
|
5.2
|
1
|
4
|
47.92
|
6
|
|
|
5-[(2R,3S)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2,3-dimethoxyphenol
|
358.40
|
5.1
|
1
|
5
|
57.15
|
7
|
|
|
Hoerhammericine
|
368.40
|
1.4
|
2
|
6
|
74.33
|
3
|
|
|
2,6-Dimethylhept-3-ene
|
126.24
|
3.7
|
0
|
0
|
0
|
3
|
|
|
2,2-Dimethyl Gibberellin A4
|
360.40
|
2.5
|
2
|
5
|
83.83
|
1
|
|
|
N-Benzylpentadecanamide
|
331.50
|
7.8
|
1
|
1
|
29.1
|
15
|
|
|
Di-(p-hydroxy-cis-styryl)methane
|
252.31
|
4.4
|
2
|
2
|
40.46
|
4
|
|
|
(1S,3R,4R,5R)-3-(3-carboxypropanoyloxy)-1,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4-hydroxycyclohexane-1-carboxylic acid
|
616.50
|
1.5
|
7
|
15
|
254.65
|
14
|
|
|
7-[[(1S,4aR,6S,8aS)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]-6,8-dimethoxychromen-2-one
|
442.50
|
4.9
|
1
|
6
|
78.13
|
5
|
|
|
(2R,4S,6R,9R,10R,11R,15S,20R)-6-(2-hydroxypropan-2-yl)-2,9,11,15,19,19-hexamethyl-5-oxapentacyclo[12.8.0.02,11.04,10.015,20]docos-1(14)-en-18-one
|
456.70
|
5.8
|
1
|
3
|
46.53
|
1
|
|
|
Reticulin
|
329.40
|
3
|
2
|
5
|
62.16
|
4
|
|
|
[(6S,8R,11R,12S,14R,15S,16R)-6-benzamido-15-[(1S)-1-(dimethylamino)ethyl]-7,7,12,16-tetramethyl-14-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dienyl] acetate
|
546.80
|
6.7
|
1
|
4
|
58.64
|
6
|
|
|
(25s)-5alpha-Spirostane-2beta,3beta,6beta-triol
|
448.60
|
4.2
|
3
|
5
|
79.15
|
0
|
|
|
(1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-(3-methoxybenzoyl)oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
|
590.80
|
9.5
|
1
|
5
|
72.83
|
5
|
|
|
(1S,2R,5S,6S,7R,9R,11S,12S,14S,15R,16S)-15-[(1R)-1-[(2R,4S,5R)-4,5-dimethyl-6-oxooxan-2-yl]-1-hydroxyethyl]-6,14-dihydroxy-5-methoxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one
|
520.70
|
2.6
|
3
|
8
|
125.82
|
3
|
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