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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(5S,7S)-9-methoxy-3,5,7-trimethyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-4-yl] acetate
|
302.40
|
4.4
|
0
|
4
|
48.67
|
3
|
|
|
[(1S,12S,13R,14R,15Z)-15-ethylidene-7-methoxy-3-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-13-yl]methanol
|
338.40
|
2
|
1
|
3
|
37.63
|
2
|
|
|
(1R,3aS,5aS,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a-(hydroxymethyl)-5b,8,8,11a-tetramethyl-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-3a-carboxylic acid
|
472.70
|
6.8
|
3
|
4
|
77.76
|
3
|
|
|
Methyl 9-hydroxy-5a-(hydroxymethyl)-5b,8,8,11a-tetramethyl-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-3a-carboxylate
|
486.70
|
7.1
|
2
|
4
|
66.76
|
4
|
|
|
methyl (2R,4aS,6aR,6aS,6bR,8aR,12aR,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-2-carboxylate
|
468.70
|
7.5
|
0
|
3
|
43.37
|
2
|
|
|
Rabdosichuanin A
|
406.50
|
1.6
|
1
|
7
|
106.97
|
3
|
|
|
(1R,3R,6R,7S,10S,11R,14S)-3,10,14-trimethyl-6-propan-2-yl-15-oxatetracyclo[9.4.0.01,14.03,7]pentadecan-12-one
|
304.50
|
4.8
|
0
|
2
|
29.6
|
1
|
|
|
Anadensin
|
304.50
|
4.5
|
1
|
2
|
37.3
|
1
|
|
|
3'-Demethoxypiplartine
|
287.31
|
2.1
|
0
|
4
|
55.84
|
4
|
|
|
(E)-1-(3-(7-Methoxybenzo[d][1,3]dioxol-5-yl)acryloyl)-5,6-dihydropyridin-2(1H)-one
|
301.29
|
1.9
|
0
|
5
|
65.07
|
3
|
|
|
19,20-Didehydroervatamine
|
352.40
|
2.2
|
1
|
4
|
62.4
|
2
|
|
|
CID 14707496
|
405.50
|
4.8
|
1
|
5
|
60.28
|
4
|
|
|
(3R,3aS,9bR)-3,6,9-trimethyl-3a,4,5,9b-tetrahydro-3H-azuleno[4,5-b]furan-2-one
|
230.30
|
2
|
0
|
2
|
26.3
|
0
|
|
|
(3R,3aS,9aS,9bS)-3,6-dimethyl-9-methylidene-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2-one
|
230.30
|
2.4
|
0
|
2
|
26.3
|
0
|
|
|
[(1R,4S,9S,10R,13R,14S)-14-hydroxy-5,5,9-trimethyl-6-oxo-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate
|
362.50
|
3.6
|
1
|
4
|
63.6
|
3
|
|
|
1,7-Bis(3,4-dihydroxyphenyl)-5-(3,4,5-trihydroxyoxan-2-yl)oxyheptan-3-one
|
478.50
|
0.5
|
7
|
10
|
177.14
|
10
|
|
|
Oregonin
|
478.50
|
0.5
|
7
|
10
|
177.14
|
10
|
|
|
(4aR,5S,6R,8aR)-5,6,8a-trimethyl-5-[2-(5-oxo-2H-furan-3-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
|
332.40
|
4.4
|
1
|
4
|
63.6
|
4
|
|
|
(6,6,9a-trimethyl-3-oxo-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzofuran-7-yl) acetate
|
292.40
|
3.1
|
0
|
4
|
52.6
|
2
|
|
|
9b-Hydroxy-7,9a-dimethyl-6-methylidene-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-3-one
|
248.32
|
1.9
|
1
|
3
|
46.53
|
0
|
|
|
Ethidium bromide
|
394.30
|
|
2
|
3
|
55.92
|
2
|
|
|
Xuelianlactone
|
248.32
|
1.8
|
1
|
3
|
46.53
|
0
|
|
|
3-(Naphthalen-1-yl)propan-1-ol
|
186.25
|
3.5
|
1
|
1
|
20.23
|
3
|
|
|
9-(1,3-Benzodioxol-5-yl)-1-piperidin-1-ylnona-2,4,8-trien-1-one
|
339.40
|
4.3
|
0
|
3
|
38.77
|
6
|
|
|
6-Methoxyflavone
|
252.26
|
3.9
|
0
|
3
|
39.44
|
2
|
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