Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Experiment: 2Herb: 3Ingredient: 1Meta-analysis: 9Target: 12Links: 26
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 20504
- Core Entity Id
- 25972
- Source Entity Count
- 1
- Preferred Name
- Eg
- Name En
- Pubchem Id
- 174
- Smiles Canonical
- C(CO)O
- Molecular Formula
- C2H6O2
- Molecular Weight
- 204.1820
- Inchikey
- LSPKYLAFTPBWIL-UHFFFAOYSA-N
- Inchi
- InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
- Isomeric Smiles
- C(CC(=O)O)C(C(=O)NCC(=O)O)N
- Cas Id
- 37221-95-7
- Ob Score
- 68.3340
- Mol Logp
- -1.0290
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.4080
- Polar Surface Area
- 40.4600
- Molecular Volume
- 53.1600
- Alogp
- -0.8980
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Eg
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
EG
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
EG
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Eg
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Eg
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Eg
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Glycol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Glycol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Glycol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
西瓜
Role
TCM_name
Source
TCMBank
Preferred
No
Name
XI GUA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Watermelon
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(4S)-4-amino-5-(carboxymethylamino)-5-oxopentanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(4S)-4-amino-5-(carboxymethylamino)-5-oxopentanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
.alpha.-L-Glu-Gly
Role
alias
Source
HERB_v2
Preferred
No
Name
.alpha.-L-Glu-Gly
Role
alias
Source
itcmdb_public
Preferred
No
Name
.alpha.-L-glutamylglycine
Role
alias
Source
itcmdb_public
Preferred
No
Name
.alpha.-L-glutamylglycine
Role
alias
Source
HERB_v2
Preferred
No
Name
02393_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
03394_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
03395_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
03461_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
03462_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
03463_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
03464_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
03465_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
03466_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
03467_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
03468_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
03469_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
03473_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
03557_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
03747_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
03770_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
03997_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
1,2-Dihydroxyethane
Role
alias
Source
HERB_v2
Preferred
No
Name
1,2-Dihydroxyethane
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,2-Dihydroxyethane
Role
alias
Source
TCMBank
Preferred
No
Name
1,2-ETHANEDIOL (GLYCOL)
Role
alias
Source
TCMBank
Preferred
No
Name
1,2-Ethandiol
Role
alias
Source
TCMBank
Preferred
No
Name
1,2-ethanediol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,2-ethanediol
Role
alias
Source
HERB_v2
Preferred
No
Name
1,2-ethanediol
Role
alias
Source
TCMBank
Preferred
No
Name
102466_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
107-21-1
Role
alias
Source
HERB_v2
Preferred
No
Name
107-21-1
Role
alias
Source
TCMBank
Preferred
No
Name
107-21-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
146AR
Role
alias
Source
TCMBank
Preferred
No
Name
17738_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
181986_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
181994_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
182001_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
182028_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
189456_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
189464_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
189472_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
2-hydroxyethanol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-hydroxyethanol
Role
alias
Source
TCMBank
Preferred
No
Name
2-hydroxyethanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
202371_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
202398_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
202401_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
202436_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
202444_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
202452_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
202487_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
202495_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
202509_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
2219-51-4
Role
alias
Source
TCMBank
Preferred
No
Name
25322-68-3
Role
alias
Source
TCMBank
Preferred
No
Name
2650-73-9
Role
alias
Source
HERB_v2
Preferred
No
Name
2650-73-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
293237_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
295906_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
309028_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
324558_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
33068_RIEDEL
Role
alias
Source
TCMBank
Preferred
No
Name
37221-95-7
Role
alias
Source
TCMBank
Preferred
No
Name
37225-26-6
Role
alias
Source
TCMBank
Preferred
No
Name
372773_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
372781_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
372803_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
372811_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
372838_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
372994_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
373001_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
4-Amino-5-((carboxymethyl)amino)-5-oxopentanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-amino-5-(carboxymethylamino)-5-oxopentanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
44101_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
55235_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
637726_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
71578_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
71767-64-1
Role
alias
Source
TCMBank
Preferred
No
Name
73034_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
76293_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81150_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81160_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81162_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81170_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81172_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81180_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81187_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81188_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81189_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81190_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81200_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81201_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81202_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81205_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81206_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81208_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81209_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81210_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81212_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81213_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81214_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81221_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81227_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81230_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81240_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81242_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81253_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81255_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81260_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81268_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81269_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81272_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81275_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81280_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81282_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81283_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81284_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81285_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81286_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81287_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81288_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81289_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81290_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81291_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81292_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81293_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81294_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81296_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81298_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81300_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81304_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81310_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81323_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81396_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
83271_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
83272_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
84184_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
84797_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
85978_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
86101_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
87006_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
87333_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
88276_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
88440_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
89510_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
89782_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
90878_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
91893_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
92897_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
94646_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
95172_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
95904_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
96699_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
A-GLYCOL
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-03050
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS017549
Role
alias
Source
TCMBank
Preferred
No
Name
Aethylenglykol [German]
Role
alias
Source
TCMBank
Preferred
No
Name
Athylenglykol
Role
alias
Source
TCMBank
Preferred
No
Name
C01380
Role
alias
Source
TCMBank
Preferred
No
Name
C15588
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 3744
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:30742
Role
alias
Source
TCMBank
Preferred
No
Name
Carbowax 1000
Role
alias
Source
TCMBank
Preferred
No
Name
Carbowax 1540
Role
alias
Source
TCMBank
Preferred
No
Name
Carbowax 300
Role
alias
Source
TCMBank
Preferred
No
Name
Carbowax 400
Role
alias
Source
TCMBank
Preferred
No
Name
Carbowax 4000
Role
alias
Source
TCMBank
Preferred
No
Name
Carbowax 6000
Role
alias
Source
TCMBank
Preferred
No
Name
Caswell No. 441
Role
alias
Source
TCMBank
Preferred
No
Name
D03370
Role
alias
Source
TCMBank
Preferred
No
Name
D06418
Role
alias
Source
TCMBank
Preferred
No
Name
D06419
Role
alias
Source
TCMBank
Preferred
No
Name
D06420
Role
alias
Source
TCMBank
Preferred
No
Name
D06421
Role
alias
Source
TCMBank
Preferred
No
Name
D06422
Role
alias
Source
TCMBank
Preferred
No
Name
D06423
Role
alias
Source
TCMBank
Preferred
No
Name
D06424
Role
alias
Source
TCMBank
Preferred
No
Name
Dowtherm 4000
Role
alias
Source
TCMBank
Preferred
No
Name
Dowtherm SR 1
Role
alias
Source
TCMBank
Preferred
No
Name
DuPont Zonyl FSE Fluorinated Surfactants
Role
alias
Source
TCMBank
Preferred
No
Name
DuPont Zonyl FSO Fluorinated Surfactants
Role
alias
Source
TCMBank
Preferred
No
Name
EDO
Role
alias
Source
TCMBank
Preferred
No
Name
EGL
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 203-473-3
Role
alias
Source
TCMBank
Preferred
No
Name
EPA Pesticide Chemical Code 042203
Role
alias
Source
TCMBank
Preferred
No
Name
ETHYLENE GLYCOL
Role
alias
Source
HERB_v2
Preferred
No
Name
ETHYLENE GLYCOL
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethane-1,2-diol
Role
alias
Source
TCMBank
Preferred
No
Name
Ethane-1,2-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethane-1,2-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethylene alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
Ethylene alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethylene alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethylene dihydrate
Role
alias
Source
TCMBank
Preferred
No
Name
Ethylene glycol
Role
alias
Source
TCMBank
Preferred
No
Name
Fridex
Role
alias
Source
TCMBank
Preferred
No
Name
GLYCOL
Role
alias
Source
TCMBank
Preferred
No
Name
Glycol alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Glycol alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
Glycol alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
Glycol, ethylene-
Role
alias
Source
TCMBank
Preferred
No
Name
Glycol, polyethylene
Role
alias
Source
TCMBank
Preferred
No
Name
Glycol, polyethylene (400)
Role
alias
Source
TCMBank
Preferred
No
Name
Glycol, polyethylene (600)
Role
alias
Source
TCMBank
Preferred
No
Name
Glycol, polypropylene (P1200)
Role
alias
Source
TCMBank
Preferred
No
Name
Glycol, polypropylene (P400)
Role
alias
Source
TCMBank
Preferred
No
Name
Glycol, polypropylene (P750)
Role
alias
Source
TCMBank
Preferred
No
Name
H-Glu-Gly-OH
Role
alias
Source
itcmdb_public
Preferred
No
Name
H-Glu-Gly-OH
Role
alias
Source
HERB_v2
Preferred
No
Name
HO-CH2-CH2-OH
Role
alias
Source
TCMBank
Preferred
No
Name
HSDB 5012
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C2H6O2/c3-1-2-4/h3-4H,1-2H
Role
alias
Source
TCMBank
Preferred
No
Name
LSPKYLAFTPBWIL-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
LSPKYLAFTPBWIL-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lutrol E
Role
alias
Source
TCMBank
Preferred
No
Name
Lutrol E (TN)
Role
alias
Source
TCMBank
Preferred
No
Name
Lutrol-9
Role
alias
Source
TCMBank
Preferred
No
Name
M.e.g.
Role
alias
Source
TCMBank
Preferred
No
Name
M6768_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
MPEG
Role
alias
Source
TCMBank
Preferred
No
Name
Macrogol
Role
alias
Source
TCMBank
Preferred
No
Name
Macrogol (JP15)
Role
alias
Source
TCMBank
Preferred
No
Name
Macrogol 1500
Role
alias
Source
TCMBank
Preferred
No
Name
Macrogol 1500 (JP15)
Role
alias
Source
TCMBank
Preferred
No
Name
Macrogol 1500 (TN)
Role
alias
Source
TCMBank
Preferred
No
Name
Macrogol 20000
Role
alias
Source
TCMBank
Preferred
No
Name
Macrogol 20000 (JP15)
Role
alias
Source
TCMBank
Preferred
No
Name
Macrogol 400
Role
alias
Source
TCMBank
Preferred
No
Name
Macrogol 400 (JP15)
Role
alias
Source
TCMBank
Preferred
No
Name
Macrogol 400 (TN)
Role
alias
Source
TCMBank
Preferred
No
Name
Macrogol 400 BPC
Role
alias
Source
TCMBank
Preferred
No
Name
Macrogol 4000 (JP15)
Role
alias
Source
TCMBank
Preferred
No
Name
Macrogol 4000 (TN)
Role
alias
Source
TCMBank
Preferred
No
Name
Macrogol 6000
Role
alias
Source
TCMBank
Preferred
No
Name
Macrogol 6000 (JP15)
Role
alias
Source
TCMBank
Preferred
No
Name
Macrogol 6000 (TN)
Role
alias
Source
TCMBank
Preferred
No
Name
Methoxypolyethylene glycol
Role
alias
Source
TCMBank
Preferred
No
Name
Methoxypolyethylene glycol 350
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00091510-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCI-C00920
Role
alias
Source
TCMBank
Preferred
No
Name
NCIOpen2_001979
Role
alias
Source
TCMBank
Preferred
No
Name
NCIOpen2_002019
Role
alias
Source
TCMBank
Preferred
No
Name
NCIOpen2_002100
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 93876
Role
alias
Source
TCMBank
Preferred
No
Name
NSC152324
Role
alias
Source
TCMBank
Preferred
No
Name
NSC152325
Role
alias
Source
TCMBank
Preferred
No
Name
NSC155081
Role
alias
Source
TCMBank
Preferred
No
Name
NSC186906
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC186906
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC32853
Role
alias
Source
TCMBank
Preferred
No
Name
NSC32854
Role
alias
Source
TCMBank
Preferred
No
Name
NSC32855
Role
alias
Source
TCMBank
Preferred
No
Name
NSC32856
Role
alias
Source
TCMBank
Preferred
No
Name
NSC35745
Role
alias
Source
TCMBank
Preferred
No
Name
NSC35746
Role
alias
Source
TCMBank
Preferred
No
Name
NSC35747
Role
alias
Source
TCMBank
Preferred
No
Name
NSC35748
Role
alias
Source
TCMBank
Preferred
No
Name
NSC35749
Role
alias
Source
TCMBank
Preferred
No
Name
NSC57859
Role
alias
Source
TCMBank
Preferred
No
Name
Norkool
Role
alias
Source
TCMBank
Preferred
No
Name
Oxirane, 2,2'-((1-methylethylidene)bis(4,1-phenyleneoxymethylene))bis-, polymer with alpha-hydro-omega-hydroxypoly(oxy-1,2-ethanediyl)
Role
alias
Source
TCMBank
Preferred
No
Name
P0694_SIAL
Role
alias
Source
TCMBank
Preferred
No
Name
P1458_SIAL
Role
alias
Source
TCMBank
Preferred
No
Name
P2139_SIAL
Role
alias
Source
TCMBank
Preferred
No
Name
P2263_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
P2906_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
P3015_SIAL
Role
alias
Source
TCMBank
Preferred
No
Name
P3265_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
P3515_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
P3640_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
P4338_SIAL
Role
alias
Source
TCMBank
Preferred
No
Name
P4463_SIAL
Role
alias
Source
TCMBank
Preferred
No
Name
P5402_SIAL
Role
alias
Source
TCMBank
Preferred
No
Name
P5413_SIAL
Role
alias
Source
TCMBank
Preferred
No
Name
P6644_SIAL
Role
alias
Source
TCMBank
Preferred
No
Name
P6667_SIAL
Role
alias
Source
TCMBank
Preferred
No
Name
P7181_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
P7306_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
P7777_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
PEG 3600
Role
alias
Source
TCMBank
Preferred
No
Name
PEG 400
Role
alias
Source
TCMBank
Preferred
No
Name
PEG 600
Role
alias
Source
TCMBank
Preferred
No
Name
PEG solution
Role
alias
Source
TCMBank
Preferred
No
Name
POLYETHYLENE GLYCOL
Role
alias
Source
TCMBank
Preferred
No
Name
Poly(ethylene glycol) methyl ether
Role
alias
Source
TCMBank
Preferred
No
Name
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-
Role
alias
Source
TCMBank
Preferred
No
Name
Polyethylene glycol (NF)
Role
alias
Source
TCMBank
Preferred
No
Name
Polyethylene glycol 200
Role
alias
Source
TCMBank
Preferred
No
Name
Polyethylene glycol 3'000 monodispers solution
Role
alias
Source
TCMBank
Preferred
No
Name
Polyethylene glycol compound
Role
alias
Source
TCMBank
Preferred
No
Name
Polyethylene glycol monomethyl ether
Role
alias
Source
TCMBank
Preferred
No
Name
Polyethylene glycol solution
Role
alias
Source
TCMBank
Preferred
No
Name
Polyethylene glycol standard set Mp 400-40'000
Role
alias
Source
TCMBank
Preferred
No
Name
Polyethylene glycol, diglycidyl bisphenol A polymer
Role
alias
Source
TCMBank
Preferred
No
Name
Polyethylene glycol/Polyethylene oxide standard ReadyCal set Mp 500-2'740'000
Role
alias
Source
TCMBank
Preferred
No
Name
Polyethylene oxide
Role
alias
Source
TCMBank
Preferred
No
Name
Polyethylene oxide (NF)
Role
alias
Source
TCMBank
Preferred
No
Name
Polyethylene oxide Standard 10'000
Role
alias
Source
TCMBank
Preferred
No
Name
Polyethyleneglycol Bisphenol A Epichlorohydrin Copolymer
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL6119573
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL6119573
Role
alias
Source
itcmdb_public
Preferred
No
Name
ST5214442
Role
alias
Source
TCMBank
Preferred
No
Name
Sentry polyox WSR
Role
alias
Source
TCMBank
Preferred
No
Name
Sentry polyox WSR (TN)
Role
alias
Source
TCMBank
Preferred
No
Name
Solbanon
Role
alias
Source
TCMBank
Preferred
No
Name
Solbanon (TN)
Role
alias
Source
TCMBank
Preferred
No
Name
Tescol
Role
alias
Source
TCMBank
Preferred
No
Name
Ucar 17
Role
alias
Source
TCMBank
Preferred
No
Name
Undecaethylene glycol
Role
alias
Source
TCMBank
Preferred
No
Name
Union Carbide XL 54 Type I De-icing Fluid
Role
alias
Source
TCMBank
Preferred
No
Name
WLN: Q2Q
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC05224354
Role
alias
Source
TCMBank
Preferred
No
Name
Zerex
Role
alias
Source
TCMBank
Preferred
No
Name
c0542
Role
alias
Source
TCMBank
Preferred
No
Name
ethanediol
Role
alias
Source
TCMBank
Preferred
No
Name
mono-Methyl polyethylene glycol
Role
alias
Source
TCMBank
Preferred
No
Name
mono-Methyl polyethylene glycol 350
Role
alias
Source
TCMBank
Preferred
No
Name
monoethylene glycol
Role
alias
Source
HERB_v2
Preferred
No
Name
monoethylene glycol
Role
alias
Source
TCMBank
Preferred
No
Name
monoethylene glycol
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Glycol西瓜XI GUAWatermelon(4S)-4-amino-5-(carboxymethylamino)-5-oxopentanoic acid.alpha.-L-Glu-Gly.alpha.-L-glutamylglycine02393_FLUKA03394_FLUKA03395_FLUKA03461_FLUKA03462_FLUKA03463_FLUKA03464_FLUKA03465_FLUKA03466_FLUKA03467_FLUKA03468_FLUKA03469_FLUKA03473_FLUKA03557_FLUKA03747_FLUKA03770_FLUKA03997_FLUKA1,2-Dihydroxyethane1,2-ETHANEDIOL (GLYCOL)1,2-Ethandiol1,2-ethanediol102466_ALDRICH107-21-1146AR17738_FLUKA181986_ALDRICH181994_ALDRICH182001_ALDRICH182028_ALDRICH189456_ALDRICH189464_ALDRICH189472_ALDRICH2-hydroxyethanol202371_ALDRICH202398_ALDRICH202401_ALDRICH202436_ALDRICH202444_ALDRICH202452_ALDRICH202487_ALDRICH202495_ALDRICH202509_ALDRICH2219-51-425322-68-32650-73-9293237_ALDRICH295906_ALDRICH309028_ALDRICH324558_ALDRICH33068_RIEDEL37221-95-737225-26-6372773_ALDRICH372781_ALDRICH372803_ALDRICH372811_ALDRICH372838_ALDRICH372994_ALDRICH373001_ALDRICH4-Amino-5-((carboxymethyl)amino)-5-oxopentanoic acid4-amino-5-(carboxymethylamino)-5-oxopentanoic acid44101_FLUKA55235_FLUKA637726_ALDRICH71578_FLUKA71767-64-173034_FLUKA76293_FLUKA81150_FLUKA81160_FLUKA81162_FLUKA81170_FLUKA81172_FLUKA81180_FLUKA81187_FLUKA81188_FLUKA81189_FLUKA81190_FLUKA81200_FLUKA81201_FLUKA81202_FLUKA81205_FLUKA81206_FLUKA81208_FLUKA81209_FLUKA81210_FLUKA81212_FLUKA81213_FLUKA81214_FLUKA81221_FLUKA81227_FLUKA81230_FLUKA81240_FLUKA81242_FLUKA81253_FLUKA81255_FLUKA81260_FLUKA81268_FLUKA81269_FLUKA81272_FLUKA81275_FLUKA81280_FLUKA81282_FLUKA81283_FLUKA81284_FLUKA81285_FLUKA81286_FLUKA81287_FLUKA81288_FLUKA81289_FLUKA81290_FLUKA81291_FLUKA81292_FLUKA81293_FLUKA81294_FLUKA81296_FLUKA81298_FLUKA81300_FLUKA81304_FLUKA81310_FLUKA81323_FLUKA81396_FLUKA83271_FLUKA83272_FLUKA84184_FLUKA84797_FLUKA85978_FLUKA86101_FLUKA87006_FLUKA87333_FLUKA88276_FLUKA88440_FLUKA89510_FLUKA89782_FLUKA90878_FLUKA91893_FLUKA92897_FLUKA94646_FLUKA95172_FLUKA95904_FLUKA96699_FLUKAA-GLYCOLAI3-03050AIDS017549Aethylenglykol [German]AthylenglykolC01380C15588CCRIS 3744CHEBI:30742Carbowax 1000Carbowax 1540Carbowax 300Carbowax 400Carbowax 4000Carbowax 6000Caswell No. 441D03370D06418D06419D06420D06421D06422D06423D06424Dowtherm 4000Dowtherm SR 1DuPont Zonyl FSE Fluorinated SurfactantsDuPont Zonyl FSO Fluorinated SurfactantsEDOEGLEINECS 203-473-3EPA Pesticide Chemical Code 042203ETHYLENE GLYCOLEthane-1,2-diolEthylene alcoholEthylene dihydrateFridexGlycol alcoholGlycol, ethylene-Glycol, polyethyleneGlycol, polyethylene (400)Glycol, polyethylene (600)Glycol, polypropylene (P1200)Glycol, polypropylene (P400)Glycol, polypropylene (P750)H-Glu-Gly-OHHO-CH2-CH2-OHHSDB 5012InChI=1/C2H6O2/c3-1-2-4/h3-4H,1-2HLSPKYLAFTPBWIL-UHFFFAOYSA-NLutrol ELutrol E (TN)Lutrol-9M.e.g.M6768_SIGMAMPEGMacrogolMacrogol (JP15)Macrogol 1500Macrogol 1500 (JP15)Macrogol 1500 (TN)Macrogol 20000Macrogol 20000 (JP15)Macrogol 400Macrogol 400 (JP15)Macrogol 400 (TN)Macrogol 400 BPCMacrogol 4000 (JP15)Macrogol 4000 (TN)Macrogol 6000Macrogol 6000 (JP15)Macrogol 6000 (TN)Methoxypolyethylene glycolMethoxypolyethylene glycol 350NCGC00091510-01NCI-C00920NCIOpen2_001979NCIOpen2_002019NCIOpen2_002100NSC 93876NSC152324NSC152325NSC155081NSC186906NSC32853NSC32854NSC32855NSC32856NSC35745NSC35746NSC35747NSC35748NSC35749NSC57859NorkoolOxirane, 2,2'-((1-methylethylidene)bis(4,1-phenyleneoxymethylene))bis-, polymer with alpha-hydro-omega-hydroxypoly(oxy-1,2-ethanediyl)P0694_SIALP1458_SIALP2139_SIALP2263_SIGMAP2906_SIGMAP3015_SIALP3265_SIGMAP3515_SIGMAP3640_SIGMAP4338_SIALP4463_SIALP5402_SIALP5413_SIALP6644_SIALP6667_SIALP7181_SIGMAP7306_SIGMAP7777_SIGMAPEG 3600PEG 400PEG 600PEG solutionPOLYETHYLENE GLYCOLPoly(ethylene glycol) methyl etherPoly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-Polyethylene glycol (NF)Polyethylene glycol 200Polyethylene glycol 3'000 monodispers solutionPolyethylene glycol compoundPolyethylene glycol monomethyl etherPolyethylene glycol solutionPolyethylene glycol standard set Mp 400-40'000Polyethylene glycol, diglycidyl bisphenol A polymerPolyethylene glycol/Polyethylene oxide standard ReadyCal set Mp 500-2'740'000Polyethylene oxidePolyethylene oxide (NF)Polyethylene oxide Standard 10'000Polyethyleneglycol Bisphenol A Epichlorohydrin CopolymerSCHEMBL6119573ST5214442Sentry polyox WSRSentry polyox WSR (TN)SolbanonSolbanon (TN)TescolUcar 17Undecaethylene glycolUnion Carbide XL 54 Type I De-icing FluidWLN: Q2QZINC05224354Zerexc0542ethanediolmono-Methyl polyethylene glycolmono-Methyl polyethylene glycol 350monoethylene glycol
Cross References
Trusted external identifiers retained for this final record.
Cas
37221-95-7
Hit
C0062
Herb
HBIN024901HBIN028150
Npass
NPC149567NPC150327
Tcmid
8825
Tcmsp
MOL010847
Sym Map
SMIT11826
Pub Chem
174302428
Tcmbank
TCMBANKIN055993TCMBANKIN057986
Etcm Ingredient
EG
Itcmdb Generated
ITX-INGREDIENT-0C4804EC11B5ITX-INGREDIENT-0DE64F8C9DDA
Attributes
Merged source attributes and domain-specific metadata.
Ic
1
Jx
1.82524
Jy
2.02349
Bic
0.63092
Cic
1
Phi
2.8616
Sic
0.5
Log D
-0.898
Sc 0
4
Sc 1
3
Sc 2
2
Type
Other ingredients
Alog P
-0.898
Chi 0
3.41421
Chi 1
1.91421
Chi 2
1
In Ch I
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2InChI=1S/C7H12N2O5/c8-4(1-2-5(10)11)7(14)9-3-6(12)13/h4H,1-3,8H2,(H,9,14)(H,10,11)(H,12,13)
Mol Wt
204.18262.068
Pmi X
1.38566
Cas Id
37221-95-7
Energy
0.97
Sc 3 C
0
Sc 3 P
1
Smiles
C(CO)OO([H])C([H])([H])C([H])([H])O[H]
Zagreb
10
Chi 3 C
0
Chi 3 P
0.5
Chi V 0
2.30864
Chi V 1
1.13245
Chi V 2
0.44721
Kappa 1
4
Kappa 2
3
Kappa 3
4
Mol Log P
-1.029-1.620699999999998
Sc 3 Ch
0
Version
v1,v2
Alog P Mr
14.553
Chi 3 Ch
0
Dipole X
0.00005
Dipole Y
0.00005
Dipole Z
0
Iac Mean
1.37095
In Ch Ikey
LSPKYLAFTPBWIL-UHFFFAOYSA-NLYCAIKOWRPUZTN-UHFFFAOYSA-N
Is Chiral
0
Ob Score
68.33468.3344966968.334497
Suppress
0
Tcm Name
西瓜
Chi V 3 C
0
Chi V 3 P
0.1
Es Sum D O
0
Es Sum T N
0
E Adj Equ
8.91968
E Adj Mag
8
Hba Count
0
Hbd Count
2
Iac Total
13.7095
Jurs Rasa
0.418
Jurs Rncg
0.5
Jurs Rncs
26.7865
Jurs Rpcg
0.5
Jurs Rpcs
19.6844
Jurs Rpsa
0.58199
Jurs Sasa
187.785
Jurs Tasa
78.496
Jurs Tpsa
109.289
Num Atoms
4
Num Bonds
3
Num Rings
0
Shadow Xy
19.495
Shadow Xz
17.1268
Shadow Yz
11.0214
Shadow Nu
1.97073
Tcm Name2
XI GUA
V Adj Equ
15.2709
V Adj Mag
15.5098
Mol2 Path
/TCM_database/2003_3d_all/3489.mol2
Reference
6
Chi V 3 Ch
0
Dipole Mag
0.00007
Es Sum Aa N
0
Es Sum Aa O
0
Es Sum D Nh
0
Es Sum Dd C
0
Es Sum Ds N
0
Es Sum S Oh
15.25
Es Sum Ss O
0
Es Sum T Ch
0
Es Sum Ts C
0
Kappa 1 Am
3.92
Kappa 2 Am
2.92
Kappa 3 Am
4.00695
Num Hdonors
24
Num Chains
1
Num Rings3
0
Num Rings4
0
Num Rings5
0
Num Rings6
0
Num Rings7
0
Num Rings8
0
Es Count D O
0
Es Count T N
0
Es Sum Aa Ch
0
Es Sum Aa Nh
0
Es Sum Aaa C
0
Es Sum Aas C
0
Es Sum Aas N
0
Es Sum D Ch2
0
Es Sum Dds N
0
Es Sum Ds Ch
0
Es Sum Dss C
0
Es Sum S Ch3
0
Es Sum S Nh2
0
Es Sum S Nh3
0
Es Sum Ss Nh
0
Es Sum Sss N
0
Jurs Dpsa 1
-30.7931
Jurs Dpsa 3
48.255
Jurs Fnsa 1
0.58199
Jurs Fnsa 2
-0.45853
Jurs Fnsa 3
-0.22927
Jurs Fpsa 1
0.418
Jurs Fpsa 2
0.0554
Jurs Fpsa 3
0.0277
Jurs Pnsa 1
109.289
Jurs Pnsa 2
-86.105
Jurs Pnsa 3
-43.0525
Jurs Ppsa 1
78.496
Jurs Ppsa 3
5.20248
Jurs Wnsa 1
20.5228
Jurs Wnsa 2
-16.1692
Jurs Wnsa 3
-8.08462
Jurs Wpsa 1
14.7404
Jurs Wpsa 3
0.97694
Num Pi Bonds
0
Tcm Name En
Watermelon
Admet Psa 2 D
41.631
Es Count Aa N
0
Es Count Aa O
0
Es Count D Nh
0
Es Count Dd C
0
Es Count Ds N
0
Es Count S Oh
2
Es Count Ss O
0
Es Count T Ch
0
Es Count Ts C
0
Es Sum Ss Ch2
-0.25
Es Sum Ss Nh2
0
Es Sum Sss Ch
0
Es Sum Sss Nh
0
Es Sum Ssss C
0
Es Sum Ssss N
0
Nplus O Count
2
Num H Donors
2
Admet Alog P98
-0.898
Admet Ext Ppb
-5.68472
Drug Likeness
0.4080.411
Es Count Aa Ch
0
Es Count Aa Nh
0
Es Count Aaa C
0
Es Count Aas C
0
Es Count Aas N
0
Es Count D Ch2
0
Es Count Dds N
0
Es Count Ds Ch
0
Es Count Dss C
0
Es Count S Ch3
0
Es Count S Nh2
0
Es Count S Nh3
0
Es Count Ss Nh
0
Es Count Sss N
0
Es Sum Sssss P
0
Num Hacceptors
24
Num Fragments
1
Num Hydrogens
6
Num Ring Bonds
0
Organic Count
4
Rad Of Gyration
0.96329
Shadow Xyfrac
0.65473
Shadow Xzfrac
0.75163
Shadow Yzfrac
0.72946
Strain Energy
0.98
Es Count Ss Ch2
2
Es Count Ss Nh2
0
Es Count Sss Ch
0
Es Count Sss Nh
0
Es Count Ssss C
0
Es Count Ssss N
0
Molecular Mass
62.0368
Molecular Sasa
217.863
Num Metal Atoms
0
Num Rings9 Plus
0
Shadow Xlength
6.70114
Shadow Ylength
4.44334
Shadow Zlength
3.40032
Admet Bbb Level
4
Isomeric Smiles
C(CC(=O)O)C(C(=O)NCC(=O)O)NC(CO)O
Molecular Savol
189.51
Molecule Weight
62.08
Num Atom Classes
2
Num Bridge Bonds
0
Num H Acceptors
2
Num Repeat Units
0
Admet Ext Cyp2 D6
-1.66293
Admet Solubility
1.742
Canonical Smiles
C(CC(=O)O)C(C(=O)NCC(=O)O)NC(CO)O
Herb Alias Names
H-Glu-Gly-OH4-amino-5-(carboxymethylamino)-5-oxopentanoic acid4-Amino-5-((carboxymethyl)amino)-5-oxopentanoic acid2650-73-9NSC186906.alpha.-L-Glu-Gly.alpha.-L-glutamylglycine(4S)-4-amino-5-(carboxymethylamino)-5-oxopentanoic acidSCHEMBL6119573LSPKYLAFTPBWIL-UHFFFAOYSA-N
Minimized Energy
-0.01
Molecular Weight
62.040
Molecular Volume
53.16
Molecular Weight
62.067862.07 g/mol
Num Macro Chains
0
Molecular Formula
C2H6O2
Molecular Formula
(C2H4O)nH2O (n = number of ethylene oxide units corresponding to a molecular weight of 6 000, about 140); C2H6O2C2H6O2
Molecular Formula
C2H6O2C7H12N2O5
Num Rotatable Bonds
16
Num Aromatic Bonds
0
Num Aromatic Rings
0
Num Explicit Atoms
4
Num Explicit Bonds
3
Num Negative Atoms
0
Num Positive Atoms
0
Num Macro Residues
0
Num Ring Assemblies
0
Num Rotatable Bonds
1
Molecular Polar Sasa
87.6544
Num Bridge Head Atoms
0
Num Chain Assemblies
1
Num Meso Stereo Atoms
0
Molecular Solubility
0.916
Admet Ext Hepatotoxic
-2.49546
Admet Unknown Alog P98
0
Molecular Surface Area
80.68
Num Explicit Hydrogens
0
Num H Donors Lipinski
2
Num Pseudo Stereo Atoms
0
Admet Absorption Level
1
Admet Solubility Level
5
Admet Ext Ppb#Prediction
0
Num H Acceptors Lipinski
2
Molecular Polar Surface Area
40.46
Admet Ext Cyp2 D6#Prediction
0
Molecular Fractional Polar Sasa
0.402
Admet Ext Ppb Applicability#Md
7.32305
Fda Maximum Daily Dose (Fdamdd)
0.005
Admet Ext Hepatotoxic#Prediction
1
Admet Ext Cyp2 D6 Applicability#Md
10.2939
Admet Ext Ppb Applicability#Mdpvalue
1
Molecular Fractional Polar Surface Area
0.501
Admet Ext Hepatotoxic Applicability#Md
5.06032
Admet Ext Cyp2 D6 Applicability#Mdpvalue
0.074831
Admet Ext Hepatotoxic Applicability#Mdpvalue
1
Quantitative Estimate Of Drug Likeness（Qed）
0.408