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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl 2-O-(6-deoxyhexopyranosyl)hexopyranoside
|
594.50
|
-0.6
|
9
|
15
|
249.2
|
6
|
|
|
methyl (1S,14S,15E,18S)-15-ethylidene-18-(hydroxymethyl)-17-methyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
|
382.50
|
1.6
|
2
|
5
|
82.63
|
3
|
|
|
Methyl 15-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate
|
340.50
|
3.8
|
1
|
3
|
45.33
|
3
|
|
|
2H-3,7-Methanoazacycloundecino(5,4-b)indole-9-carboxylic acid, 7-ethyl-1,4,5,6,7,8,9,10-octahydro-, methyl ester, (7S-(7R*,9S*))-
|
340.50
|
3.8
|
1
|
3
|
45.33
|
3
|
|
|
methyl (13S,15S)-15-ethyl-11-methyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate
|
354.50
|
3.8
|
0
|
3
|
34.47
|
3
|
|
|
Vincaminoreine
|
354.50
|
3.8
|
0
|
3
|
34.47
|
3
|
|
|
Vincine
|
384.50
|
2.8
|
1
|
5
|
63.93
|
4
|
|
|
(1S,2R,9R,10S,12S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one
|
264.36
|
0.7
|
1
|
3
|
43.78
|
0
|
|
|
Sarpagan-16-carboxylic acid, 17-hydroxy-1-methyl-, methyl ester, (16R)-
|
366.50
|
1.5
|
1
|
4
|
54.7
|
3
|
|
|
Vogeletin
|
316.26
|
1.9
|
4
|
7
|
120.36
|
2
|
|
|
(3R,3aR,5aS,5bR,7aS,11aS,11bR)-3a,5a,5b,8,8,11a-hexamethyl-3-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b-dodecahydrocyclopenta[a]chrysene
|
408.70
|
10
|
0
|
0
|
0
|
1
|
|
|
Wharangin
|
344.30
|
2.7
|
3
|
8
|
118.59
|
2
|
|
|
Wightin
|
344.30
|
2.9
|
2
|
7
|
98.36
|
4
|
|
|
Isoflavone base + 1O, 2MeO, O-Hex
|
460.40
|
1
|
4
|
10
|
148.05
|
6
|
|
|
(1S,2S,4S,5R,10R,11S,14R,15R,18S)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5-hydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-ene-9,13-dione
|
468.60
|
3
|
1
|
6
|
93.2
|
2
|
|
|
1,4,5-Trihydroxy-2-methoxy-7-methylanthracene-9,10-dione
|
300.26
|
3.2
|
3
|
6
|
104.06
|
1
|
|
|
(1R,4S,5R,9S,10S,13R,15R)-15-Acetyloxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
|
360.50
|
4.5
|
1
|
4
|
63.6
|
3
|
|
|
Zaluzanin D
|
288.34
|
1.9
|
0
|
4
|
52.6
|
2
|
|
|
Zapotidine
|
167.23
|
0.6
|
0
|
2
|
53.15
|
0
|
|
|
8-Hydroxy-alpha-humulene
|
220.35
|
3.4
|
1
|
1
|
20.23
|
0
|
|
|
[(1S,4R,6S,7R,13S,14S)-6,11-dimethyl-16-oxo-5,9,15,17-tetraoxapentacyclo[11.2.2.01,14.04,6.08,12]heptadeca-8(12),10-dien-7-yl] acetate
|
334.30
|
0.6
|
0
|
7
|
90.8
|
2
|
|
|
2,4,5-Trimethoxyphenol
|
184.19
|
1.9
|
1
|
4
|
47.92
|
3
|
|
|
(3Z)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]furan-2-one
|
332.40
|
3.4
|
2
|
4
|
66.76
|
3
|
|
|
1,3,6,7-tetrahydroxy-2-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
|
422.30
|
-0.4
|
8
|
11
|
201.28
|
2
|
|
|
3-(4-methoxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
430.40
|
1
|
4
|
9
|
138.82
|
5
|
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