Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 12Links: 24
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 34543
- Core Entity Id
- 41590
- Source Entity Count
- 1
- Preferred Name
- Tartaric acid
- Name En
- Pubchem Id
- 875
- Smiles Canonical
- C(C(C(=O)O)O)(C(=O)O)O
- Molecular Formula
- C4H6O6
- Molecular Weight
- 150.0860
- Inchikey
- FEWJPZIEWOKRBE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)
- Isomeric Smiles
- C(C(C(=O)O)O)(C(=O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -2.1226
- Num H Donors
- 4
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.3650
- Polar Surface Area
- 115.0600
- Molecular Volume
- 104.6100
- Alogp
- -1.6640
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(±)-Tartaric acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Tartaric Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Tartaric acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Tartaric acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
tartaric acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
酸角;虎杖叶;人参 ;醋柳果;大枣;杜仲;山茱萸
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SUAN JIAO;PU TAO Ⅱ;HU ZHANG YE;REN SHEN;CU LIU GUO;DA ZAO;Pelargonium sp;DU ZHONG;SHAN ZHU YU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Tamarind Fruit ;Japanese Fleeceflower Leaf;Ginseng ;Seabuckthorn Fruit;Chinese Date;Eucommia;Asiatic Cornelian Cherry
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
133-37-9
Role
alias
Source
HERB_v2
Preferred
No
Name
133-37-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,3-Dihydroxybutanedioic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,3-Dihydroxybutanedioic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2,3-Dihydroxysuccinic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,3-Dihydroxysuccinic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
526-83-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
526-83-0
Role
alias
Source
HERB_v2
Preferred
No
Name
DL-Tartaric acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
DL-Tartaric acid
Role
alias
Source
HERB_v2
Preferred
No
Name
LS-188035
Role
alias
Source
TCMBank
Preferred
No
Name
Racemic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Racemic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Racemic tartaric acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Racemic tartaric acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Traubensaure
Role
alias
Source
itcmdb_public
Preferred
No
Name
Traubensaure
Role
alias
Source
HERB_v2
Preferred
No
Name
Uvic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Uvic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
tartaricacid
Role
alias
Source
TCMBank
Preferred
No
Name
Srt
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
SRT
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2R,3S)-2,3-dihydroxybutanedioic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(2R,3S)-2,3-dihydroxysuccinic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R,3S)-rel-2,3-dihydroxybutanedioic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(2R,3S)-tartaric acid
Role
alias
Source
TCMBank
Preferred
No
Name
(R*,S*)-2,3-dihydroxybutanedioic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(r,s)-tartaric acid
Role
alias
Source
HERB_v2
Preferred
No
Name
1,4-BUTANEDIOIC ACID,2,3-DIHYDROXY (TARTARIC ACID)
Role
alias
Source
TCMBank
Preferred
No
Name
147-73-9
Role
alias
Source
HERB_v2
Preferred
No
Name
Butanedioic acid, 2,3-dihydroxy-, (R*,S*)-
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:15673
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10
Role
alias
Source
TCMBank
Preferred
No
Name
Internally compensate tartaric acid
Role
alias
Source
TCMBank
Preferred
No
Name
Mesoweinsaeure
Role
alias
Source
itcmdb_public
Preferred
No
Name
S,R MESO-TARTARIC ACID
Role
alias
Source
TCMBank
Preferred
No
Name
erythraric acid
Role
alias
Source
HERB_v2
Preferred
No
Name
i-Tartaric acid
Role
alias
Source
HERB_v2
Preferred
No
Name
internally compensated tartaric acid
Role
alias
Source
TCMBank
Preferred
No
Name
m-tartaric acid
Role
alias
Source
HERB_v2
Preferred
No
Name
mesotartaric acid
Role
alias
Source
HERB_v2
Preferred
No
Name
unresolvable tartaric acid
Role
alias
Source
TCMBank
Preferred
No
Name
Tar
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(-)-Tartaric acid
Role
alias
Source
TCMBank
Preferred
No
Name
(-)-Weinsaeure
Role
alias
Source
TCMBank
Preferred
No
Name
(2S,3S)-2,3-Dihydroxysuccinic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S,3S)-2,3-dihydroxybutanedioic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(2S,3S)-Tartaric acid
Role
alias
Source
TCMBank
Preferred
No
Name
(S,S)-Tartaric acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(S,S)-Tartrate
Role
alias
Source
TCMBank
Preferred
No
Name
03918_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
147-71-7
Role
alias
Source
TCMBank
Preferred
No
Name
483796_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
95320_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
95330_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
C02107
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:15672
Role
alias
Source
TCMBank
Preferred
No
Name
D-Tartaric acid
Role
alias
Source
TCMBank
Preferred
No
Name
D-Tartrate
Role
alias
Source
TCMBank
Preferred
No
Name
D-threaric acid
Role
alias
Source
HERB_v2
Preferred
No
Name
DL-2,3-Dihydroxybutanedioic acid
Role
alias
Source
TCMBank
Preferred
No
Name
Linksweinsaeure
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00014424
Role
alias
Source
TCMBank
Preferred
No
Name
NCI155080
Role
alias
Source
TCMBank
Preferred
No
Name
NCIStruc1_000172
Role
alias
Source
TCMBank
Preferred
No
Name
NCIStruc2_000222
Role
alias
Source
TCMBank
Preferred
No
Name
NSC-155080
Role
alias
Source
TCMBank
Preferred
No
Name
T206_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
T400_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
d-Tartaric acid
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(±)-Tartaric acid酸角;虎杖叶;人参 ;醋柳果;大枣;杜仲;山茱萸SUAN JIAO;PU TAO Ⅱ;HU ZHANG YE;REN SHEN;CU LIU GUO;DA ZAO;Pelargonium sp;DU ZHONG;SHAN ZHU YUTamarind Fruit ;Japanese Fleeceflower Leaf;Ginseng ;Seabuckthorn Fruit;Chinese Date;Eucommia;Asiatic Cornelian Cherry133-37-92,3-Dihydroxybutanedioic acid2,3-Dihydroxysuccinic acid526-83-0DL-Tartaric acidLS-188035Racemic acidRacemic tartaric acidTraubensaureUvic acidtartaricacidSrt(2R,3S)-2,3-dihydroxybutanedioic acid(2R,3S)-2,3-dihydroxysuccinic acid(2R,3S)-rel-2,3-dihydroxybutanedioic acid(2R,3S)-tartaric acid(R*,S*)-2,3-dihydroxybutanedioic acid(r,s)-tartaric acid1,4-BUTANEDIOIC ACID,2,3-DIHYDROXY (TARTARIC ACID)147-73-9Butanedioic acid, 2,3-dihydroxy-, (R*,S*)-CHEBI:15673InChI=1/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10Internally compensate tartaric acidMesoweinsaeureS,R MESO-TARTARIC ACIDerythraric acidi-Tartaric acidinternally compensated tartaric acidm-tartaric acidmesotartaric acidunresolvable tartaric acidTar(-)-Tartaric acid(-)-Weinsaeure(2S,3S)-2,3-Dihydroxysuccinic acid(2S,3S)-2,3-dihydroxybutanedioic acid(2S,3S)-Tartaric acid(S,S)-Tartaric acid(S,S)-Tartrate03918_FLUKA147-71-7483796_ALDRICH95320_FLUKA95330_FLUKAC02107CHEBI:15672D-Tartaric acidD-TartrateD-threaric acidDL-2,3-Dihydroxybutanedioic acidLinksweinsaeureNCGC00014424NCI155080NCIStruc1_000172NCIStruc2_000222NSC-155080T206_ALDRICHT400_ALDRICH
Cross References
Trusted external identifiers retained for this final record.
Cas
87-69-4147-71-7
Herb
HBIN045552HBIN044671HBIN045516
Npass
NPC100742
Tcmid
2069923784
Tcmsp
MOL001887MOL001886
Sym Map
SMIT01890SMIT02614SMIT04235SMIT04234
Tcm Id
625
Pub Chem
875447315439655
Tcmbank
TCMBANKIN025505TCMBANKIN051538TCMBANKIN003871TCMBANKIN014350
Etcm Ingredient
(±)-Tartaric acid
Itcmdb Generated
ITX-INGREDIENT-44721B68E901ITX-INGREDIENT-E7B87D1CE884
Attributes
Merged source attributes and domain-specific metadata.
Ic
2.32192
Jx
3.76425
Jy
4.16905
Bic
0.67118
Cic
1
Phi
3.09714
Sic
0.69896
Log D
-4.6
Sc 0
10
Sc 1
9
Sc 2
12
Type
Other ingredients
Alog P
-1.664
Chi 0
8.3094
Chi 1
4.4641
Chi 2
4.20626
In Ch I
InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)
Mol Wt
150.086
Pmi X
30.3669
Energy
5.79
Sc 3 C
4
Sc 3 P
12
Smiles
C(C(C(=O)O)O)(C(=O)O)OO([H])C(=O)[C@@]([H])(O[H])[C@](O[H])([H])C(=O)O[H]
Zagreb
42
Chi 3 C
1.05156
Chi 3 P
2.93247
Chi V 0
4.76005
Chi V 1
2.28254
Chi V 2
1.56614
Kappa 1
10
Kappa 2
4
Kappa 3
3.11111
Mol Log P
-2.122599999999999
Sc 3 Ch
0
Version
v1,v2
Alog P Mr
26.213
Chi 3 Ch
0
Dipole X
0
Dipole Y
0
Dipole Z
0.00033
Iac Mean
1.56127
In Ch Ikey
FEWJPZIEWOKRBE-UHFFFAOYSA-N
Is Chiral
0
Suppress
1
Tcm Name
酸角;虎杖叶;人参 ;醋柳果;大枣;杜仲;山茱萸
Chi V 3 C
0.25448
Chi V 3 P
0.8051
Es Sum D O
19.543
Es Sum T N
0
E Adj Equ
71.014
E Adj Mag
110.039
Hba Count
2
Hbd Count
2
Iac Total
24.9804
Jurs Rasa
0.07066
Jurs Rncg
0.19507
Jurs Rncs
6.81398
Jurs Rpcg
0.31219
Jurs Rpcs
2.63908
Jurs Rpsa
0.92933
Jurs Sasa
280.253
Jurs Tasa
19.8051
Jurs Tpsa
260.448
Num Atoms
10
Num Bonds
9
Num Rings
0
Shadow Xy
39.1481
Shadow Xz
26.6064
Shadow Yz
18.9873
Shadow Nu
2.32813
Tcm Name2
SUAN JIAO;PU TAO Ⅱ;HU ZHANG YE;REN SHEN;CU LIU GUO;DA ZAO;Pelargonium sp;DU ZHONG;SHAN ZHU YU
V Adj Equ
68.0077
V Adj Mag
75.0586
Mol2 Path
/TCM_database/2003_3d_all/8076.mol2
Reference
2
Chi V 3 Ch
0
Dipole Mag
0.00033
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
32.525
Es Sum Ss O
0
Es Sum T Ch
0
Es Sum Ts C
0
Kappa 1 Am
9.18
Kappa 2 Am
3.37379
Kappa 3 Am
2.5489
Num Hdonors
4
Num Chains
5
Num Rings3
0
Num Rings4
0
Num Rings5
0
Num Rings6
0
Num Rings7
0
Num Rings8
0
Es Count D O
2
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
-3.538
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
-208.762
Jurs Dpsa 3
87.2121
Jurs Fnsa 1
0.87245
Jurs Fnsa 2
-1.69728
Jurs Fnsa 3
-0.28232
Jurs Fpsa 1
0.12754
Jurs Fpsa 2
0.1187
Jurs Fpsa 3
0.02887
Jurs Pnsa 1
244.508
Jurs Pnsa 2
-475.667
Jurs Pnsa 3
-79.1188
Jurs Ppsa 1
35.7459
Jurs Ppsa 3
8.0933
Jurs Wnsa 1
68.5241
Jurs Wnsa 2
-133.307
Jurs Wnsa 3
-22.1733
Jurs Wpsa 1
10.0179
Jurs Wpsa 3
2.26817
Num Pi Bonds
0
Tcm Name En
Tamarind Fruit ;Japanese Fleeceflower Leaf;Ginseng ;Seabuckthorn Fruit;Chinese Date;Eucommia;Asiatic Cornelian Cherry
Admet Psa 2 D
117.863
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
4
Es Count Ss O
0
Es Count T Ch
0
Es Count Ts C
0
Es Sum Ss Ch2
0
Es Sum Ss Nh2
0
Es Sum Sss Ch
-4.533
Es Sum Sss Nh
0
Es Sum Ssss C
0
Es Sum Ssss N
0
Nplus O Count
6
Num H Donors
4
Admet Alog P98
-1.664
Admet Ext Ppb
-6.92453
Drug Likeness
0.365
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
2
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
4
Num Fragments
1
Num Hydrogens
6
Num Ring Bonds
0
Organic Count
10
Rad Of Gyration
1.96042
Shadow Xyfrac
0.6548
Shadow Xzfrac
0.73913
Shadow Yzfrac
0.73939
Strain Energy
4.38
Es Count Ss Ch2
0
Es Count Ss Nh2
0
Es Count Sss Ch
2
Es Count Sss Nh
0
Es Count Ssss C
0
Es Count Ssss N
0
Molecular Mass
150.016
Molecular Sasa
279.065
Num Metal Atoms
0
Num Rings9 Plus
0
Shadow Xlength
9.15454
Shadow Ylength
6.53069
Shadow Zlength
3.93213
Admet Bbb Level
4
Isomeric Smiles
C(C(C(=O)O)O)(C(=O)O)O
Molecular Savol
248.045
Molecule Weight
150.1
Num Atom Classes
10
Num Bridge Bonds
0
Num H Acceptors
6
Num Repeat Units
0
Admet Ext Cyp2 D6
-5.32129
Admet Solubility
1.67
Canonical Smiles
C(C(C(=O)O)O)(C(=O)O)O
Herb Alias Names
DL-Tartaric acid2,3-Dihydroxysuccinic acid2,3-Dihydroxybutanedioic acid526-83-0133-37-9Racemic acidUvic acidTraubensaureRacemic tartaric acid
Minimized Energy
1.41
Molecular Weight
150.020
Molecular Volume
104.61
Molecular Weight
150.087150.09 g/mol
Molecule Formula
C4H6O6
Num Macro Chains
0
Molecular Formula
C4H6O6
Molecular Formula
C4H6O6
Molecular Formula
C4H6O6
Num Rotatable Bonds
3
Num Aromatic Bonds
0
Num Aromatic Rings
0
Num Explicit Atoms
10
Num Explicit Bonds
9
Num Negative Atoms
0
Num Positive Atoms
0
Link Ingredient Id
1890.0
Num Macro Residues
0
Num Ring Assemblies
0
Num Rotatable Bonds
3
Molecular Polar Sasa
212.336
Num Bridge Head Atoms
0
Num Chain Assemblies
1
Num Meso Stereo Atoms
0
Molecular Solubility
-0.832
Admet Ext Hepatotoxic
-6.78056
Admet Unknown Alog P98
0
Molecular Surface Area
147.61
Num Explicit Hydrogens
0
Num H Donors Lipinski
4
Num Pseudo Stereo Atoms
0
Admet Absorption Level
1
Admet Solubility Level
5
Admet Ext Ppb#Prediction
0
Num H Acceptors Lipinski
6
Molecular Polar Surface Area
115.06
Admet Ext Cyp2 D6#Prediction
0
Molecular Fractional Polar Sasa
0.76
Admet Ext Ppb Applicability#Md
10.7608
Fda Maximum Daily Dose (Fdamdd)
0.008
Admet Ext Hepatotoxic#Prediction
0
Admet Ext Cyp2 D6 Applicability#Md
15.5153
Admet Ext Ppb Applicability#Mdpvalue
0.610922
Molecular Fractional Polar Surface Area
0.779
Admet Ext Hepatotoxic Applicability#Md
6.49983
Admet Ext Cyp2 D6 Applicability#Mdpvalue
0.000001
Admet Ext Hepatotoxic Applicability#Mdpvalue
0.999615
Quantitative Estimate Of Drug Likeness（Qed）
0.248