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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Momordicine I
|
472.70
|
5.3
|
3
|
4
|
77.76
|
5
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4-(hydroxymethyl)-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
|
648.80
|
4.9
|
6
|
10
|
173.98
|
5
|
|
|
(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
|
446.40
|
0.2
|
6
|
11
|
187.12
|
4
|
|
|
Ingenol 20-palmitate
|
586.80
|
7.6
|
3
|
6
|
104.06
|
17
|
|
|
CID 124511123
|
636.70
|
0.6
|
1
|
13
|
178.03
|
13
|
|
|
(5S)-5-tetradecanoyloxolan-2-one
|
296.40
|
6.2
|
0
|
3
|
43.37
|
13
|
|
|
[(2R)-2,3-dihydroxypropyl] hexacosanoate
|
470.80
|
11.7
|
2
|
4
|
66.76
|
28
|
|
|
(2R)-2-hydroxyheptadecanoic acid
|
286.40
|
6.9
|
2
|
3
|
57.53
|
15
|
|
|
6-[4-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
|
540.50
|
5
|
5
|
10
|
166.89
|
4
|
|
|
[(2S)-2-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-3-enyl] acetate
|
302.32
|
3.3
|
0
|
5
|
65.74
|
6
|
|
|
(1R,4aR,5S,8aR)-1,4a-dimethyl-6-methylidene-5-[(2Z)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
|
302.50
|
5.7
|
1
|
2
|
37.3
|
4
|
|
|
(2R,3R)-4-hydroxy-6-(4-hydroxyphenyl)-2-(2-hydroxypropan-2-yl)-3-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one
|
384.40
|
2.5
|
3
|
7
|
109.36
|
3
|
|
|
(8R,21R)-16,27-dimethoxy-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),25,27,32-dodecaen-13-ol
|
576.70
|
6.1
|
1
|
7
|
63.63
|
2
|
|
|
(4R)-3-methylidene-4-prop-1-en-2-ylcyclohexene
|
134.22
|
3.5
|
0
|
0
|
0
|
1
|
|
|
methyl (1R,9R,10S,11R,12R,19S)-11-acetyloxy-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
|
811.00
|
3.7
|
3
|
12
|
154.1
|
10
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8aS,12aR,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-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
|
811.00
|
3.1
|
9
|
15
|
253.13
|
8
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aR,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-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
|
795.00
|
4.3
|
8
|
14
|
232.9
|
7
|
|
|
4'-Demethoxypiperlotine C
|
261.32
|
2.2
|
0
|
3
|
38.77
|
4
|
|
|
(Z,6R)-6-[(3R,3aR,6S,7S,9aR,9bS)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8,9,9a-octahydrocyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid
|
470.70
|
8
|
2
|
4
|
74.6
|
9
|
|
|
[(3S,5R,8R,9R,10R,13R,14R,17S)-17-[(5R)-5-hydroxy-6-methylhepta-1,6-dien-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
|
484.80
|
9.6
|
1
|
3
|
46.53
|
7
|
|
|
(2R)-4-[(E)-2-[(1R,4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]-2-[(1S)-2-[(1R,4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-1-(5-oxo-2H-furan-4-yl)ethyl]-2H-furan-5-one
|
664.90
|
6.1
|
4
|
8
|
133.52
|
8
|
|
|
(1R,3R,6R,7S,8S,10S,11S,13S,16S,17R)-8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
|
408.40
|
0.6
|
2
|
9
|
128.59
|
1
|
|
|
[(1S,4aR,6S,7R,7aS)-6-acetyloxy-4a,7-dihydroxy-1-(3-methylbutanoyloxy)-7-(3-methylbutanoyloxymethyl)-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-yl]methyl (2R)-3-methyl-2-(3-methylbutanoyloxy)butanoate
|
642.70
|
3.3
|
2
|
13
|
181.19
|
20
|
|
|
methyl (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
|
390.40
|
-1.4
|
5
|
10
|
155.14
|
5
|
|
|
[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
786.70
|
-2.1
|
12
|
20
|
324.44
|
14
|
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