np_id pref_nameiupac_namchembl_id pubchem_cmw LogS LogD LogP hba

NPC98742 YFBXOWRAn.a. n.a. n.a. 252.17 -1,546 1,456 1,215 3.0

NPC98125 n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a.
NPC8747 SGEWCQFRn.a. n.a. 49791957 739.51 -4,275 4,768 5,576 14.0
NPC86727 FPMOKOLGn.a. n.a. n.a. 248.18 -4,631 3.44 3,528 2.0
NPC85346 Cycloartenn.a. CHEMBL22 92110 426.39 -6,718 5,933 8,377 1.0
NPC836 n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a.
NPC82346 JUJPNIDLVn.a. n.a. 5316029 376.12 -3,427 2,923 2,954 8.0
NPC8202 VHQGIWBXn.a. n.a. n.a. 524.31 -5,444 4.31 4,906 6.0
NPC76950 WCDMDNMO n.a. n.a. n.a. 220.18 -3,466 2,794 3,315 1.0
NPC76446 PFOWZHHJn.a. n.a. 11968520 833.3 -0.304 -2,648 -4,991 27.0
hbd psa rotatable_ rings standard_istandard_icanonical_if_analyzed
2.0 57.53 2.0 2.0 InChI=1S/C2)9-17/h1116-17H 1 3-9H2 2H3/t11-
n.a. n.a. n.a. n.a. InChI=1S/C37(51)52)241)15-14-339)3)56-3620-33 35-36
7.0 212.26 17.0 1.0 InChI=1S/C 14 17-19 21-25 27-29H 7H2/p-1/t1
0.0 26.3 1.0 2.0 InChI=1S/C3)4/h12-1315H 1-Feb 6-9H2 3-5H3/t12-
1.0 20.23 4.0 5.0 InChI=1S/C5)25(31)1429)18-17-228)6/h9 21-25 31H
n.a. n.a. n.a. n.a. InChI=1S/C4)22(28)1129)8/h9 21-24 31H 10-19H2
3.0 106.84 5.0 3.0 InChI=1S/C 10 20H 5 8H2 1-4H3/t10
0.0 86.74 6.0 4.0 InChI=1S/C7)17-37-215)6/h9 22-26 29H 1
1.0 20.23 0.0 3.0 InChI=1S/C13)14/h9-1 12 16H 5-8H2 1-4H3/t10-
12.0 415.1 21.0 1.0 InChI=1S/C36(53)54)13)14-15-4142)6)40(215)10-9-22( 19
12+ 13- 15+/m1/s1YFBXOWRAC=C1CCC[CNPO2865 others
43-49H 7-18H2 1-5H3 (H 51 52)/t20- 21+ 22- 23+ 24+
17- 18+ 19- 21+/m1/s1SGEWCQFRc1cc(ccc1 NPO2865 others
13+ 15+/m0/s1FPMOKOLGC=C1CC[C@ NPO2865 others
8 10-19H2 1-7H3/t21-22- 23+ 24+ 25+ 27- 28+ 29-
1-8H3/t21 22- 23+ 24- 27+ 28- 29+ 30+/m0/s1JFSHUTJD CC1(C)CC[
JUJPNIDLVCOC1=C(C(NPO2865 others
3 8 10-17H2 2 4-7H3/b19-23- 24- 25+ 26+ 29+
12- 13+ 14+ 15+/m1/s1WCDMDNMO C[C@@H]1CNPO2865 others
21-31 35 44-48H Aug-15 17H2 1-7H3 (H2- 49 50 51
25- 26- 27- 28+ 29+ 30- 31- 32+ 33+ 35-

30+/m1/s1ONQRKEUACC(=CCC[CNPO2865 analyzed
NPO2865 others

32-/m0/s1VHQGIWBXC=C1CC[C@
NPO2865 others

52 53 54)/p+1/t121? 22? 23- 24- 25+ 26+ 27+

36- 38+ 39- 40- 41+ 42-/m0/s1NISBQKZX CC1=CC[C NPO2865 others

28- 29- 30- 31? 35+ 38? 39? 40? 41? 42?/m0/s1
PFOWZHHJCC1(C)C2CNPO2865 others
Target penpain, antianalgetik
tanaman abrus precatorius
nama latin Saga rambat, saga telik, atau saga areuy
nama daerabrus precatorius
plants ingredients
 Organis
Molecul
Metaboli m or
C_ID CAS ID ar Mw
te InChIKe
formula
y etc.
C00000674491-70-3 5,7,3',4'- C15H10 ### Abrus
Tetrahyd O6 precatori
roxyflavo us
ne

C000010554261-42- Isoorienti C21H20 ### Abrus

1 n O11 precatori
us
C00001331526-31-8 L-Abrine C12H14 ### Abrus
N2O2 precatori
us
C00001555535-83-1 Trigonelli C7H7NO ### Abrus
ne 2 precatori
us
C00001740487-58-1 Hypapho C14H18 ### Abrus
rine N2O2 precatori
us
gen NTKR1
type Neurotrophic Receptor Tyrosine Kinase 1
disorder Insensitivity To Pain, Congenital, With Anhidrosis , Thyroid Carcinoma, Familial Medullary , Differentiated Thyroid C
ligan entrectinib
larotrectinib
crizotinib
d-tyrosine
acetylsalicylic acid
llary , Differentiated Thyroid Carcinoma , Neuropathy, Hereditary Sensory And Autonomic, Type V , Neuropathy, Hereditary Sensory And
athy, Hereditary Sensory And Autonomic, Type V