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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1R,6R)-6-[(3R)-3-[(3S,3aS,5aS,6R,7S)-6-(2-carboxyethyl)-3,3a,6-trimethyl-7-prop-1-en-2-yl-1,2,4,5,5a,7-hexahydrocyclopenta[a]naphthalen-3-yl]butanoyl]-1-methyl-3-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylic acid
|
618.90
|
8.7
|
2
|
5
|
91.67
|
12
|
|
|
(E)-3-[(2S,3S)-2-[(2S,3S)-2-(3,4-dihydroxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]prop-2-enal
|
492.50
|
2.4
|
4
|
9
|
134.91
|
6
|
|
|
(E)-3-[(2S,3S)-2-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]prop-2-enal
|
356.40
|
2.4
|
1
|
6
|
74.22
|
6
|
|
|
(1R,3S,4R,5R,7S)-4-[(E)-4-hydroperoxy-4-methylpent-2-enyl]-4-methyl-5-(2-methylbutanoyl)-1,3,7-tris(3-methylbut-2-enyl)-8-oxabicyclo[5.2.1]decane-6,9,10-trione
|
598.80
|
8.5
|
1
|
7
|
106.97
|
13
|
|
|
(E)-3-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal
|
312.30
|
1.7
|
3
|
5
|
86.99
|
4
|
|
|
(8Z,12S,14S)-4,6-dimethoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),8,15,18-heptaene-5,12,14-triol
|
372.40
|
3.1
|
3
|
6
|
88.38
|
2
|
|
|
(8Z,10E,12R,14S)-4,6-dimethoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),8,10,15,18-octaene-5,12,14-triol
|
370.40
|
3
|
3
|
6
|
88.38
|
2
|
|
|
(1R,3R,5R,7S)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4,4-dimethyl-3,7-bis(3-methylbut-2-enyl)-5-(2-methylpropanoyl)-8-oxabicyclo[5.2.1]decane-6,9,10-trione
|
552.80
|
9.8
|
0
|
5
|
77.51
|
11
|
|
|
(1R,3R,5R,7S)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4,4-dimethyl-5-(2-methylbutanoyl)-3,7-bis(3-methylbut-2-enyl)-8-oxabicyclo[5.2.1]decane-6,9,10-trione
|
566.80
|
10.2
|
0
|
5
|
77.51
|
12
|
|
|
[(2S,3S)-2-(3,4-dimethoxyphenyl)-6-[(E)-3-oxoprop-1-enyl]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl acetate
|
398.40
|
3
|
0
|
7
|
80.29
|
8
|
|
|
(2S,3S)-2-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde
|
330.30
|
2
|
1
|
6
|
74.22
|
5
|
|
|
(8S,9R,10S,12S)-tricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,8,9,10,12,17-hexol
|
346.40
|
1
|
6
|
6
|
121.38
|
0
|
|
|
(10R,12S)-3,10,12,17-tetrahydroxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-9-one
|
328.40
|
2
|
4
|
5
|
97.99
|
0
|
|
|
(10R,12S)-3,10,17-trihydroxy-12-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-9-one
|
490.50
|
0.4
|
7
|
10
|
177.14
|
3
|
|
|
(8S,9R,12S)-3,8,9,12,17-pentahydroxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-10-one
|
344.40
|
1
|
5
|
6
|
118.22
|
0
|
|
|
3-[(3S,5R,8R,9R,10S,13R,14S,17R)-3-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-13-methyl-2,3,4,5,6,7,8,9,10,11,12,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
520.70
|
1.7
|
3
|
8
|
114.68
|
4
|
|
|
Giffonin P
|
362.40
|
0
|
7
|
7
|
141.61
|
0
|
|
|
[(2R,3S,4R,5S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
578.50
|
3.5
|
6
|
12
|
196.35
|
7
|
|
|
(1R,6R)-6-[(3R)-3-[(1'S,3R,6S,7S,7aS)-7-(2-carboxyethyl)-1',7-dimethyl-3'-methylidene-6-prop-1-en-2-ylspiro[2,5,6,7a-tetrahydro-1H-indene-3,2'-cyclopentane]-1'-yl]butanoyl]-1-methyl-4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylic acid
|
618.90
|
8.6
|
2
|
5
|
91.67
|
12
|
|
|
(1R,6R)-6-[(3R)-3-[(3R,3aR,5aS,6S,7S,9bR)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,5,5a,7,8-octahydrocyclopenta[a]naphthalen-3-yl]butanoyl]-1-methyl-3-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylic acid
|
620.90
|
9.2
|
2
|
5
|
91.67
|
12
|
|
|
3-[(3S,5R,8R,9S,10R,13R,14S,17R)-10-hydroperoxy-14-hydroxy-3-[(2R,3S,4S,5S,6S)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
876.90
|
-2.9
|
10
|
20
|
302.44
|
11
|
|
|
(1R,6R)-6-[(3R)-3-[(3S,3aS,5aS,6R,7S)-6-(2-carboxyethyl)-3,3a,6-trimethyl-7-prop-1-en-2-yl-1,2,4,5,5a,7-hexahydrocyclopenta[a]naphthalen-3-yl]butanoyl]-1-methyl-4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylic acid
|
618.90
|
8.7
|
2
|
5
|
91.67
|
12
|
|
|
(1S,6S)-6-[(3R)-3-[(3S,3aS,5aS,6R,7S)-6-(2-carboxyethyl)-3,3a,6-trimethyl-7-prop-1-en-2-yl-1,2,4,5,5a,7-hexahydrocyclopenta[a]naphthalen-3-yl]butanoyl]-1-methyl-3-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylic acid
|
618.90
|
8.7
|
2
|
5
|
91.67
|
12
|
|
|
(1R,6R)-6-[(3R)-3-[(3S,3aS,5aS,6R,7S)-6-(3-methoxy-3-oxopropyl)-3,3a,6-trimethyl-7-prop-1-en-2-yl-1,2,4,5,5a,7-hexahydrocyclopenta[a]naphthalen-3-yl]butanoyl]-1-methyl-3-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylic acid
|
632.90
|
9
|
1
|
5
|
80.67
|
13
|
|
|
(1S,6S)-6-[(3R)-3-[(3S,3aS,5aS,6R,7S)-6-(2-carboxyethyl)-3,3a,6-trimethyl-7-prop-1-en-2-yl-1,2,4,5,5a,7-hexahydrocyclopenta[a]naphthalen-3-yl]butanoyl]-1-methyl-4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylic acid
|
618.90
|
8.7
|
2
|
5
|
91.67
|
12
|
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