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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Isobellendine
|
205.25
|
1
|
0
|
3
|
33.45
|
0
|
|
|
[(1R,2R,3S,4R,5S,6S,8S,10S,11R,12R,15S)-3,4,6,11-tetraacetyloxy-2-hydroxy-1,5,15-trimethyl-9-methylidene-14-oxo-16-oxatetracyclo[10.5.0.02,15.05,10]heptadecan-8-yl] (E)-3-phenylprop-2-enoate
|
696.70
|
2.4
|
1
|
13
|
178.03
|
12
|
|
|
Taxacin
|
816.80
|
3.5
|
1
|
15
|
204.33
|
16
|
|
|
Taxinin M
|
686.70
|
0.8
|
2
|
14
|
198.26
|
12
|
|
|
(3R,4aS,6aR,10aR,10bR)-3-ethenyl-3,4a,7,7,10a-pentamethyl-1,2,5,6,6a,9,10,10b-octahydrobenzo[f]chromen-8-one
|
304.50
|
4.1
|
0
|
2
|
26.3
|
1
|
|
|
(3R,4aS,6aS,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-1,2,5,6,6a,9,10,10b-octahydrobenzo[f]chromen-8-one
|
304.50
|
4.1
|
0
|
2
|
26.3
|
1
|
|
|
methyl 5-[(E)-2-[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]-1,2-dihydroxyethenyl]-1,3-benzodioxole-4-carboxylate
|
429.40
|
2.8
|
2
|
9
|
106.92
|
7
|
|
|
[6-[2-(Dimethylamino)ethyl]-1,3-benzodioxol-5-yl]-(8-hydroxyfuro[3,4-g][1,3]benzodioxol-6-yl)methanone
|
397.40
|
3.8
|
1
|
8
|
90.6
|
5
|
|
|
(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-methoxy-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene
|
440.70
|
10.4
|
0
|
1
|
9.23
|
2
|
|
|
(5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2S,4S,5S)-4-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
|
490.70
|
5.2
|
3
|
5
|
86.99
|
2
|
|
|
(4aS,5R,6S,8aR,9aR)-6-hydroxy-3,4a,5-trimethyl-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzofuran-2-one
|
250.33
|
2.1
|
1
|
3
|
46.53
|
0
|
|
|
(4S,4aS,5R,6S,8aR,9aS)-6-hydroxy-4,9a-dimethoxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-2-one
|
310.40
|
1.3
|
1
|
5
|
64.99
|
2
|
|
|
2-Butenoic acid, 2-methyl-, (4S,4aS,5R,6S,8aR,9aS)-2,4,4a,5,6,7,8,8a,9,9a-decahydro-6,9a-dihydroxy-3,4a,5-trimethyl-2-oxonaphtho[2,3-b]furan-4-yl ester, (2E)-
|
364.40
|
2
|
2
|
6
|
93.06
|
3
|
|
|
(1'S,2R,4S,5'R)-5,7-dihydroxy-4-(2-methylpropyl)-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-bicyclo[3.1.0]hexane]-6,8-dicarbaldehyde
|
386.50
|
5.5
|
2
|
5
|
83.83
|
5
|
|
|
(2S,3R,4aR,6aR,6bS,8aR,9S,12aS,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-2,3,9-triol
|
458.70
|
6.6
|
3
|
3
|
60.69
|
0
|
|
|
(2S,3R,4aR,6aR,6bS,8aR,9S,11R,12S,12aS,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-2,3,9-triol
|
458.70
|
6.5
|
3
|
3
|
60.69
|
0
|
|
|
(2S,3R,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-2,3-diol
|
458.70
|
6.4
|
3
|
3
|
60.69
|
1
|
|
|
(4aS,6aR,6aS,6bR,8aR,10S,12aS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicene-4a-carboxylic acid
|
454.70
|
7
|
2
|
3
|
57.53
|
1
|
|
|
(1S,11R,13R,15R)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-11-ol
|
301.34
|
1.7
|
1
|
5
|
51.16
|
1
|
|
|
(1S,11S,13R,15R)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-11-ol
|
301.34
|
1.7
|
1
|
5
|
51.16
|
1
|
|
|
(1R,2R,5R,8S,11S,12R)-6,12-dimethyl-14-oxapentacyclo[10.3.3.15,8.01,11.02,8]nonadec-6-en-13-one
|
300.40
|
4.8
|
0
|
2
|
26.3
|
0
|
|
|
16alpha-Hydroxy-kaurenoic acid methyl ester
|
334.50
|
4.8
|
1
|
3
|
46.53
|
2
|
|
|
(1S,4S,4aS,6S,8aS)-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,2,3,4a,5,6,7,8-octahydronaphthalene-1,4-diol
|
256.38
|
1.6
|
3
|
3
|
60.69
|
1
|
|
|
(4S,4aS,6S,8aS)-4-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-3,4a,5,6,7,8-hexahydro-2H-naphthalen-1-one
|
254.36
|
1.3
|
2
|
3
|
57.53
|
1
|
|
|
Conophylline
|
794.90
|
3.7
|
4
|
14
|
163.82
|
8
|
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