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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Heliangin
|
362.40
|
1.9
|
1
|
6
|
85.36
|
3
|
|
|
Hesperaline
|
268.33
|
2
|
0
|
4
|
44.76
|
7
|
|
|
(2R)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one
|
302.28
|
2.4
|
3
|
6
|
96.22
|
2
|
|
|
1,6,7-Trihydroxy-3-methoxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
|
436.40
|
0
|
7
|
11
|
190.28
|
3
|
|
|
beta-Himachalol
|
222.37
|
3.5
|
1
|
1
|
20.23
|
0
|
|
|
Hinokiol
|
302.50
|
5.2
|
2
|
2
|
40.46
|
1
|
|
|
(-)-Hinokiresinol
|
252.31
|
4.4
|
2
|
2
|
40.46
|
4
|
|
|
Hinokiic acid
|
234.33
|
4.1
|
1
|
2
|
37.3
|
1
|
|
|
6,7,13-Trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-14,17-dien-16-one
|
325.50
|
4.3
|
0
|
2
|
20.31
|
0
|
|
|
(1R,2S,5S,6S,9R,12S,13R)-6,7,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-14,17-dien-16-one
|
325.50
|
4.3
|
0
|
2
|
20.31
|
0
|
|
|
(2R,3R,4S,6R)-6-[[(1S,2R,5S,7S,10S,11S,14R,17S,18S)-10,17-dimethyl-16,21-dioxahexacyclo[15.3.1.01,14.02,11.05,10.014,18]henicosan-7-yl]oxy]-4-methoxy-2-methyloxan-3-amine
|
475.70
|
3.7
|
1
|
6
|
72.17
|
3
|
|
|
Holarrhenine
|
372.60
|
3.7
|
1
|
3
|
26.71
|
1
|
|
|
Isotrilobine
|
576.70
|
6.3
|
0
|
7
|
52.63
|
2
|
|
|
3-[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-3-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
518.70
|
3
|
2
|
7
|
94.45
|
4
|
|
|
Somalin
|
518.70
|
3
|
2
|
7
|
94.45
|
4
|
|
|
5a,5b,8,8,11a,13b-Hexamethyl-3-propan-2-yl-1,2,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydrocyclopenta[a]chrysene
|
410.70
|
10.1
|
0
|
0
|
0
|
1
|
|
|
3a,5a,5b,8,8,11a-Hexamethyl-3-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13-tetradecahydrocyclopenta[a]chrysene
|
410.70
|
10.2
|
0
|
0
|
0
|
1
|
|
|
Hopene II
|
410.70
|
10.2
|
0
|
0
|
0
|
1
|
|
|
5a,5b,8,8,11a,13b-hexamethyl-3-propan-2-ylidene-2,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysene
|
410.70
|
10.7
|
0
|
0
|
0
|
0
|
|
|
Hop-21-ene
|
410.70
|
10.7
|
0
|
0
|
0
|
0
|
|
|
Hulupinic acid
|
264.32
|
3.4
|
2
|
4
|
74.6
|
4
|
|
|
(-)-Fustin
|
288.25
|
1.3
|
4
|
6
|
107.22
|
1
|
|
|
2-Hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one
|
264.36
|
0.9
|
1
|
3
|
43.78
|
0
|
|
|
10-Hydroxycodeine
|
315.40
|
0
|
2
|
5
|
62.16
|
1
|
|
|
13beta-Hydroxylupanine
|
264.36
|
0.6
|
1
|
3
|
43.78
|
0
|
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