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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1R,4Z,6R,7S,11Z)-4-ethylidene-7-hydroxy-6,7,14-trimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione
|
365.40
|
1.4
|
1
|
7
|
93.14
|
0
|
|
|
(1S,3R,6S,8R,11S,12S,15E,16S)-15-ethylidene-12,16-dimethyl-6-(methylamino)-7-methylidenepentacyclo[9.7.0.01,3.03,8.012,16]octadecan-14-one
|
353.50
|
4.8
|
1
|
2
|
29.1
|
1
|
|
|
Hofmeisterin II
|
298.30
|
4
|
2
|
4
|
74.6
|
5
|
|
|
2-Hydroxybenzoic acid-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate (1:1)
|
413.50
|
|
3
|
7
|
102.34
|
3
|
|
|
14-Ethyl-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosan-21-ol
|
449.60
|
1
|
1
|
7
|
69.62
|
4
|
|
|
[(1S,2R,3R,4S,5R,6S,8R,9R,13S,16S,17R,18S)-11-ethyl-8,9,16-trihydroxy-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate
|
495.60
|
-0.5
|
3
|
9
|
117.92
|
7
|
|
|
5-Hexen-3-one
|
98.14
|
1.2
|
0
|
1
|
17.07
|
3
|
|
|
(2R)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-2,6,6-trimethylpyran-3-one
|
250.33
|
2.1
|
0
|
3
|
35.53
|
2
|
|
|
(3R,4S,6R)-4-bromo-10-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-en-3-ol
|
333.69
|
4.1
|
1
|
1
|
20.23
|
0
|
|
|
(3S,4R,6S,9R,10R)-4,9-dibromo-10-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undecan-3-ol
|
414.60
|
4.7
|
1
|
1
|
20.23
|
0
|
|
|
Isoobtusol
|
414.60
|
4.7
|
1
|
1
|
20.23
|
0
|
|
|
(6R)-10-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-dien-3-one
|
252.78
|
3.4
|
0
|
1
|
17.07
|
0
|
|
|
(6R)-1,5,5,9-Tetramethylspiro[5.5]undeca-1,8-dien-3-one
|
218.33
|
3.1
|
0
|
1
|
17.07
|
0
|
|
|
(6S,9R,10R)-10-bromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undec-1-en-3-one
|
333.69
|
4
|
0
|
1
|
17.07
|
0
|
|
|
(4R,6S,9S,10S)-4,10-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undec-1-ene
|
398.60
|
5.6
|
0
|
0
|
0
|
0
|
|
|
(Z)-5-[(1S,4aS,7R,8aS)-7-acetyloxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid
|
362.50
|
5.3
|
1
|
4
|
63.6
|
6
|
|
|
(1E,5R,6S,7E,9Z)-2-(acetyloxymethyl)-6-[2-(furan-3-yl)ethyl]-5,6-dimethylcyclodeca-1,7,9-triene-1-carboxylic acid
|
372.50
|
4.7
|
1
|
5
|
76.74
|
7
|
|
|
(4aR,5S,6R,8aS)-8a-(acetyloxymethyl)-5-[2-(furan-3-yl)ethyl]-5,6-dimethyl-4a,6,7,8-tetrahydronaphthalene-1-carboxylic acid
|
372.50
|
4.6
|
1
|
5
|
76.74
|
7
|
|
|
(2S,4aS,6aS,6aR,6bS,8aS,9R,12aS,14aS,14bR)-2,4a,6a,6a,8a,9,14a-heptamethyl-10-oxo-3,4,5,6,6b,7,8,9,11,12,12a,13,14,14b-tetradecahydro-1H-picene-2-carbaldehyde
|
440.70
|
8.1
|
0
|
2
|
34.14
|
1
|
|
|
(4R,4aS,6aS,6aS,6bR,8aS,11S,12aR,14aS,14bS)-11-(hydroxymethyl)-4,4a,6a,6b,8a,11,14a-heptamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
|
442.70
|
8.2
|
1
|
2
|
37.3
|
1
|
|
|
29-Hydroxyfriedelan-3-one
|
442.70
|
8.2
|
1
|
2
|
37.3
|
1
|
|
|
(2S,4aS,6aS,6aR,6bS,8aS,9R,12aS,14aS,14bR)-2,4a,6a,6a,8a,9,14a-heptamethyl-10-oxo-3,4,5,6,6b,7,8,9,11,12,12a,13,14,14b-tetradecahydro-1H-picene-2-carboxylic acid
|
456.70
|
8.1
|
1
|
3
|
54.37
|
1
|
|
|
Hexylbenzene
|
162.27
|
5.5
|
0
|
0
|
0
|
5
|
|
|
13-alpha-Angeloyloxylupanine
|
346.50
|
2.4
|
0
|
4
|
49.85
|
3
|
|
|
(14-Oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl) 4-hydroxy-3-methoxybenzoate
|
414.50
|
2.5
|
1
|
6
|
79.31
|
4
|
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