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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Frutescin-Chrysanthemum segetum (corn marigold)
|
246.30
|
2.2
|
0
|
3
|
43.37
|
1
|
|
|
methyl (1S,11S,12S,13Z)-13-ethylidene-15-(2-hydroxyethyl)-10,15-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2,4,6,8-tetraene-11-carboxylate
|
340.40
|
1.7
|
1
|
4
|
54.7
|
4
|
|
|
[(1R,2R,5R,6R,10R,11S,15R,16R,18S)-16,18-diacetyloxy-6-(furan-3-yl)-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-8-en-11-yl] (E)-3-phenylprop-2-enoate
|
642.80
|
6.9
|
0
|
8
|
101.27
|
9
|
|
|
7-[(3,4-Di-O-acetyl-I(2)-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
|
516.40
|
0.5
|
4
|
12
|
182.19
|
8
|
|
|
[(10R,11R)-10-[(15S,19S)-19-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-2,3,4,7,8,9-hexahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl]-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl] 3,4,5-trihydroxybenzoate
|
1208.90
|
3.3
|
20
|
31
|
545.33
|
6
|
|
|
(2S,3S,4S,5R,6R)-6-[[(2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4-carboxy-8a-[(2S,3R,4S,5S,6R)-4,5-diacetyloxy-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxycarbonyl-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
|
1217.30
|
1
|
12
|
27
|
420.41
|
16
|
|
|
(2R)-1-[(2R)-6-methyl-2,3,4,5-tetrahydropyridin-2-yl]propan-2-ol
|
155.24
|
0.5
|
1
|
2
|
32.59
|
2
|
|
|
2-hydroxy-5-(4-hydroxyphenyl)-1H-phenalen-1-one
|
288.30
|
4.3
|
2
|
3
|
57.53
|
1
|
|
|
N-Methylschinifoline
|
255.31
|
3.3
|
0
|
2
|
31.23
|
3
|
|
|
[(3aS,5R,5aS,6S,8R,8aR,9S,9aS)-6,9-dihydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,7-b]furan-8-yl] (Z)-2-methylbut-2-enoate
|
364.40
|
2.5
|
2
|
6
|
93.06
|
3
|
|
|
(4S,6Z)-1,7-dimethyl-4-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-5-one
|
236.35
|
2.8
|
0
|
2
|
29.6
|
1
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,11R,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
666.80
|
2.5
|
8
|
11
|
197.37
|
5
|
|
|
10-Undecene-5,7-diynoic acid, 9-(I(2)-D-glucopyranosyloxy)-, methyl ester, (R)-
|
368.40
|
-0.1
|
4
|
8
|
125.68
|
9
|
|
|
(3S,5R)-3-[(1S)-1-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]ethyl]-5-prop-1-en-2-yldioxolan-3-ol
|
268.35
|
2.9
|
1
|
4
|
47.92
|
4
|
|
|
(E)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-hydroperoxy-6-methylhept-4-en-3-one
|
268.35
|
1.9
|
1
|
4
|
55.76
|
6
|
|
|
(3R,5R)-3-[(1S)-1-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]ethyl]-5-prop-1-en-2-yldioxolan-3-ol
|
268.35
|
2.9
|
1
|
4
|
47.92
|
4
|
|
|
(2R,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
493.40
|
|
7
|
11
|
189.83
|
6
|
|
|
2-(1,4-Dihydroxycyclohexa-2,5-dien-1-yl)-5-hydroxy-7-methoxychromen-4-one
|
302.28
|
1.2
|
3
|
6
|
100.13
|
2
|
|
|
[(3aR,4S,6aR,7R,8R,9aR,9bR)-7,8-dihydroxy-3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-methylprop-2-enoate
|
346.40
|
0.9
|
2
|
6
|
93.06
|
3
|
|
|
(10R)-1-hydroxy-10-[(9R)-4-hydroxy-2-(hydroxymethyl)-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-3-(hydroxymethyl)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10H-anthracen-9-one
|
834.80
|
0.4
|
12
|
18
|
313.82
|
9
|
|
|
(10S)-1-hydroxy-10-[(9S)-4-hydroxy-2-(hydroxymethyl)-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-3-(hydroxymethyl)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10H-anthracen-9-one
|
834.80
|
0.4
|
12
|
18
|
313.82
|
9
|
|
|
3-[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
|
756.70
|
-2.4
|
12
|
20
|
328.35
|
8
|
|
|
(3-Hydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,12,13-trioxatetracyclo[9.2.2.01,10.05,9]pentadec-14-en-2-yl) acetate
|
336.30
|
0.5
|
1
|
7
|
91.29
|
2
|
|
|
[(2R,3R,5S,10S)-3-hydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,12,13-trioxatetracyclo[9.2.2.01,10.05,9]pentadec-14-en-2-yl] 3-methylbutanoate
|
378.40
|
1.8
|
1
|
7
|
91.29
|
4
|
|
|
[(1R,2R,4S,5R,9S,10S,11R)-2-hydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,12,13-trioxatetracyclo[9.2.2.01,10.05,9]pentadec-14-en-4-yl] (E)-2-methylbut-2-enoate
|
376.40
|
1.7
|
1
|
7
|
91.29
|
3
|
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