Chemical Library : Dataset Browser

BIMP_ID	Name	Mol Weight	LogP	HBD	HBA	TPSA	Rotatable Bonds
BIMP035751	2-[(2R,4aS,8R,8aR)-4a-hydroxy-8,8a-dimethyl-7-oxo-2,3,4,8-tetrahydro-1H-naphthalen-2-yl]prop-2-enoic acid	264.32	1.5	2	4	74.6	2
BIMP035752	2-[(2R,7S,8R,8aR)-7-hydroxy-8,8a-dimethyl-6-oxo-1,2,3,4,7,8-hexahydronaphthalen-2-yl]prop-2-enoic acid	264.32	2	2	4	74.6	2
BIMP035753	2-[(2R,7R,8R,8aR)-7-acetyloxy-8,8a-dimethyl-6-oxo-1,2,3,4,7,8-hexahydronaphthalen-2-yl]prop-2-enoic acid	306.40	2.6	1	5	80.67	4
BIMP035754	2-[(2R,8aS)-7-hydroxy-8,8a-dimethyl-6-oxo-1,2,3,4-tetrahydronaphthalen-2-yl]prop-2-enoic acid	262.30	2.1	2	4	74.6	2
BIMP035755	2-[(2R,8R,8aR)-8,8a-dimethyl-7-oxo-1,2,3,8-tetrahydronaphthalen-2-yl]prop-2-enoic acid	246.30	2.6	1	3	54.37	2
BIMP035756	5,8,2'-Trihydroxy-6,7-dimethoxyflavone	330.29	2.6	3	7	109.36	3
BIMP035757	2-[(2R,4aS,7R,8S,8aR)-7-acetyloxy-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid	310.40	2.6	2	5	83.83	4
BIMP035758	methyl 2-[(2R,4aS,7R,8S,8aR)-7-acetyloxy-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoate	324.40	2.9	1	5	72.83	5
BIMP035759	Gelomulide G	432.50	2.5	0	7	91.43	4
BIMP035760	Cannabiglendol	304.40	4	2	3	49.69	3
BIMP035761	1-Allyl-2,6-dimethoxy-3,4-methylenedioxybenzene	222.24	2.7	0	4	36.92	4
BIMP035762	(1R,2E,5R,6E,10S)-3,7-dimethyl-10-propan-2-ylcyclodeca-2,6-diene-1,5-diol	238.37	2.3	2	2	40.46	1
BIMP035763	Yuankanin	578.50	-1.4	7	14	217.97	7
BIMP035764	2-[3-Hydroxy-5-methoxy-4-(3-methylbut-2-enyl)phenyl]-1-benzofuran-6-ol	324.40	5.2	2	4	62.83	4
BIMP035765	Petunidin 3-O-(6''-acetyl-galactoside)	521.40		7	12	206.9	7
BIMP035766	Peonidin 3-(6''-acetyl-galactoside)	505.40		6	11	186.67	7
BIMP035767	Malvidin 3-(6''-acetyl-galactoside)	535.50		6	12	195.9	8
BIMP035768	3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(4-hydroxyphenyl)chromenylium-5,7-diol	403.40		6	8	151.14	4
BIMP035769	Peonidin 3-(6''-p-coumaroyl-glucoside)	609.60		7	12	206.9	9
BIMP035770	Petunidin 3-(6''-p-coumaroyl-glucoside)	625.60		8	13	227.13	9
BIMP035771	Delphinidin 3-feruloylglucoside	641.60		9	14	247.36	9
BIMP035772	(-)-Epicatechin-(2a-7)(4a-8)-epicatechin 3-O-galactoside	706.60	2.1	10	15	248.45	5
BIMP035773	Luteolin 7-O-diglucuronide	638.50	-0.8	10	18	303.57	7
BIMP035774	Apigenin 6-C-galactoside 8-C-arabinoside	564.50	-1.6	10	14	250.97	5
BIMP035775	Apigenin 7-O-(6''-malonyl-apiosyl-glucoside)	650.50	-0.9	8	17	272.34	11

BIMP035751

2-[(2R,4aS,8R,8aR)-4a-hydroxy-8,8a-dimethyl-7-oxo-2,3,4,8-tetrahydro-1H-naphthalen-2-yl]prop-2-enoic acid

264.32

1.5

2

4

74.6

2

BIMP035752

2-[(2R,7S,8R,8aR)-7-hydroxy-8,8a-dimethyl-6-oxo-1,2,3,4,7,8-hexahydronaphthalen-2-yl]prop-2-enoic acid

264.32

2

4

74.6

2

BIMP035753

2-[(2R,7R,8R,8aR)-7-acetyloxy-8,8a-dimethyl-6-oxo-1,2,3,4,7,8-hexahydronaphthalen-2-yl]prop-2-enoic acid

306.40

2.6

1

5

80.67

4

BIMP035754

2-[(2R,8aS)-7-hydroxy-8,8a-dimethyl-6-oxo-1,2,3,4-tetrahydronaphthalen-2-yl]prop-2-enoic acid

262.30

2.1

2

4

74.6

2

BIMP035755

2-[(2R,8R,8aR)-8,8a-dimethyl-7-oxo-1,2,3,8-tetrahydronaphthalen-2-yl]prop-2-enoic acid

246.30

2.6

1

3

54.37

2

BIMP035756

5,8,2'-Trihydroxy-6,7-dimethoxyflavone

330.29

2.6

3

7

109.36

3

BIMP035757

2-[(2R,4aS,7R,8S,8aR)-7-acetyloxy-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid

310.40

2.6

2

5

83.83

4

BIMP035758

methyl 2-[(2R,4aS,7R,8S,8aR)-7-acetyloxy-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoate

324.40

2.9

1

5

72.83

5

BIMP035759

Gelomulide G

432.50

2.5

0

7

91.43

4

BIMP035760

Cannabiglendol

304.40

4

2

3

49.69

3

BIMP035761

1-Allyl-2,6-dimethoxy-3,4-methylenedioxybenzene

222.24

2.7

0

4

36.92

4

BIMP035762

(1R,2E,5R,6E,10S)-3,7-dimethyl-10-propan-2-ylcyclodeca-2,6-diene-1,5-diol

238.37

2.3

2

40.46

1

BIMP035763

Yuankanin

578.50

-1.4

7

14

217.97

7

BIMP035764

2-[3-Hydroxy-5-methoxy-4-(3-methylbut-2-enyl)phenyl]-1-benzofuran-6-ol

324.40

5.2

2

4

62.83

4

BIMP035765

Petunidin 3-O-(6''-acetyl-galactoside)

521.40

7

12

206.9

7

BIMP035766

Peonidin 3-(6''-acetyl-galactoside)

505.40

6

11

186.67

7

BIMP035767

Malvidin 3-(6''-acetyl-galactoside)

535.50

6

12

195.9

8

BIMP035768

3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(4-hydroxyphenyl)chromenylium-5,7-diol

403.40

6

8

151.14

4

BIMP035769

Peonidin 3-(6''-p-coumaroyl-glucoside)

609.60

7

12

206.9

9

BIMP035770

Petunidin 3-(6''-p-coumaroyl-glucoside)

625.60

8

13

227.13

9

BIMP035771

Delphinidin 3-feruloylglucoside

641.60

9

14

247.36

9

BIMP035772

(-)-Epicatechin-(2a-7)(4a-8)-epicatechin 3-O-galactoside

706.60

2.1

10

15

248.45

5

BIMP035773

Luteolin 7-O-diglucuronide

638.50

-0.8

10

18

303.57

7

BIMP035774

Apigenin 6-C-galactoside 8-C-arabinoside

564.50

-1.6

10

14

250.97

5

BIMP035775

Apigenin 7-O-(6''-malonyl-apiosyl-glucoside)

650.50

-0.9

8

17

272.34

11