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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1S,15R,16S)-4-acetyloxy-5-methoxy-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,12-tetraen-15-yl] acetate
|
357.40
|
1.6
|
0
|
6
|
65.07
|
5
|
|
|
4,5-Dimethoxy-2-[(4,15,16-trimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaen-5-yl)oxy]benzaldehyde
|
503.50
|
5.4
|
0
|
8
|
75.69
|
8
|
|
|
6beta-Hydroxyhispanone
|
316.40
|
4.4
|
1
|
3
|
50.44
|
3
|
|
|
1-[(1S,3R,3aS,7aS)-3-[2-(furan-3-yl)ethyl]-3-hydroxy-3a,7,7-trimethyl-4,5,6,7a-tetrahydro-1H-2-benzofuran-1-yl]propan-1-one
|
334.40
|
4.1
|
1
|
4
|
59.67
|
5
|
|
|
(3aR,5aS,9bS)-3a-hydroxy-5a,9-dimethyl-3-methylidene-5,6,7,9b-tetrahydro-4H-benzo[g][1]benzofuran-2,8-dione
|
262.30
|
0.7
|
1
|
4
|
63.6
|
0
|
|
|
(3aR,5aR,9aR,9bR)-3a,9a-dihydroxy-5a-methyl-3,9-dimethylidene-4,5,6,7,8,9b-hexahydrobenzo[g][1]benzofuran-2-one
|
264.32
|
1
|
2
|
4
|
66.76
|
0
|
|
|
(4aS,6aS,6aS,6bR,8aR,12R,12aR,14bS)-12-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
|
470.70
|
6.2
|
2
|
4
|
74.6
|
1
|
|
|
CID 15765610
|
447.40
|
1.6
|
2
|
8
|
112.35
|
1
|
|
|
Isohyperectine
|
447.40
|
1.6
|
2
|
8
|
112.35
|
1
|
|
|
3-[(4R,5S,8S,9R,10S,13R,14R,17R)-5,8,9,13-tetramethyl-3-methylidene-17-propan-2-yl-1,2,4,6,7,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-4-yl]propanal
|
398.70
|
8.4
|
0
|
1
|
17.07
|
4
|
|
|
(4R,5S,8S,9R,10S,13R,14R,17R)-4-(3,3-dimethoxypropyl)-5,8,9,13-tetramethyl-3-methylidene-17-propan-2-yl-1,2,4,6,7,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene
|
444.70
|
9.2
|
0
|
2
|
18.46
|
6
|
|
|
(3S,4aR,6aS,6bS,8aS,12aR,14bS)-4,4,6a,6b,8a,9,9,14b-octamethyl-1,2,3,4a,5,6,7,8,10,11,12,12a,13,14-tetradecahydropicen-3-ol
|
426.70
|
8.9
|
1
|
1
|
20.23
|
0
|
|
|
1H-Naphtho(2,3-c)pyran-1-one, 3,4-dihydro-9,10-dihydroxy-7-methoxy-3-methylene-
|
272.25
|
3.3
|
2
|
5
|
75.99
|
1
|
|
|
Cosatrienoic acid
|
306.50
|
8.3
|
1
|
2
|
37.3
|
15
|
|
|
(2S,3S,4S,5R,6S)-6-[[(3S,4S,4aR,6aR,6bS,8aR,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-9-oxo-2,3,4a,5,6,7,8,10,12,12a,14,14a-dodecahydro-1H-picen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
|
941.10
|
2.1
|
10
|
18
|
291.82
|
9
|
|
|
4H-1-Benzopyran-4-one, 2-(2,6-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-, (2S)-
|
288.25
|
2
|
4
|
6
|
107.22
|
1
|
|
|
(+)-Nicotine
|
162.23
|
1.2
|
0
|
2
|
16.13
|
1
|
|
|
Chloranthalactone B
|
244.28
|
1.4
|
0
|
3
|
38.83
|
0
|
|
|
(1R,2R,8S,10S,12R,13S,14S,15S,16S,17R,19S,21S)-5,13,16,24-tetramethyl-9,20-dimethylidene-3,26-dioxanonacyclo[13.11.0.01,23.02,6.02,14.08,13.010,12.016,21.017,19]hexacosa-5,23-diene-4,25-dione
|
456.60
|
3.3
|
0
|
4
|
52.6
|
0
|
|
|
7-[(E)-5-[(1S,2R,4aS,8aR)-4a-hydroxy-1,2,5,5-tetramethyl-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-3-methylpent-2-enyl]-2,3-dimethylpurin-6-one
|
454.60
|
5.3
|
1
|
3
|
72.94
|
5
|
|
|
Myriceric acid B
|
634.80
|
8
|
4
|
7
|
124.29
|
6
|
|
|
Myriceric acid C
|
797.00
|
10
|
5
|
10
|
170.82
|
10
|
|
|
(4R,4aR,4bS,8R,8aS,10S,10aS)-8-[(Z)-5-hydroxy-3-methylpent-3-enyl]-1,1,4a,8a-tetramethyl-7-methylidene-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthrene-4,10-diol
|
390.60
|
5
|
3
|
3
|
60.69
|
4
|
|
|
(1S,4aR,4bR,8aS,9S,10aR)-9-hydroxy-4b,8,8,10a-tetramethyl-1-(3-oxobutyl)-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-2-one
|
348.50
|
4
|
1
|
3
|
54.37
|
3
|
|
|
(3S,4aS,8R,8aS)-8-[2-(furan-3-yl)ethyl]-3-hydroxy-4,4,7,8a-tetramethyl-3,4a,5,8-tetrahydro-1H-naphthalen-2-one
|
316.40
|
3.7
|
1
|
3
|
50.44
|
3
|
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