Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 35046
- Core Entity Id
- 42140
- Source Entity Count
- 1
- Preferred Name
- Tgl
- Name En
- Pubchem Id
- 11146
- Smiles Canonical
- CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
- Molecular Formula
- C57H110O6
- Molecular Weight
- 891.5010
- Inchikey
- DCXXMTOCNZCJGO-UHFFFAOYSA-N
- Inchi
- InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
- Cas Id
- 41755-77-5
- Ob Score
- 15.1300
- Mol Logp
- 18.7691
- Num H Donors
- 0
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 53
- Drug Likeness
- 0.0340
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
TGL
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Tgl
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Tgl
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Tgl
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
555-43-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
555-43-1
Role
alias
Source
HERB_v2
Preferred
No
Name
Glycerol tristearate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Glycerol tristearate
Role
alias
Source
HERB_v2
Preferred
No
Name
Glyceryl tristearate
Role
alias
Source
HERB_v2
Preferred
No
Name
Glyceryl tristearate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Propane-1,2,3-triyl tristearate
Role
alias
Source
HERB_v2
Preferred
No
Name
Propane-1,2,3-triyl tristearate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Stearic triglyceride
Role
alias
Source
HERB_v2
Preferred
No
Name
Stearic triglyceride
Role
alias
Source
itcmdb_public
Preferred
No
Name
Stearin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Stearin
Role
alias
Source
HERB_v2
Preferred
No
Name
TRISTEARIN
Role
alias
Source
itcmdb_public
Preferred
No
Name
TRISTEARIN
Role
alias
Source
HERB_v2
Preferred
No
Name
TRISTEAROYLGLYCEROL
Role
alias
Source
itcmdb_public
Preferred
No
Name
TRISTEAROYLGLYCEROL
Role
alias
Source
HERB_v2
Preferred
No
Name
Trioctadecanoin
Role
alias
Source
HERB_v2
Preferred
No
Name
Trioctadecanoin
Role
alias
Source
itcmdb_public
Preferred
No
Name
triacylglycerol
Role
alias
Source
HERB_v2
Preferred
No
Name
triacylglycerol
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
555-43-1Glycerol tristearateGlyceryl tristearatePropane-1,2,3-triyl tristearateStearic triglycerideStearinTRISTEARINTRISTEAROYLGLYCEROLTrioctadecanointriacylglycerol
Cross References
Trusted external identifiers retained for this final record.
Cas
41755-77-5
Herb
HBIN044735HBIN046150
Npass
NPC164700
Tcmid
20265
Tcmsp
MOL004082
Sym Map
SMIT06061SMIT17783
Pub Chem
11146
Tcmbank
TCMBANKIN061095
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3
Mol Wt
891.500999999999
Cas Id
41755-77-5
Smiles
CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
Mol Log P
18.76909999999998
Version
v1,v2
In Ch Ikey
DCXXMTOCNZCJGO-UHFFFAOYSA-N
Ob Score
15.1315.13003715.13003735
Suppress
0
Num Hdonors
0
Drug Likeness
0.034
Num Hacceptors
6
Isomeric Smiles
CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
Molecule Weight
891.67
Canonical Smiles
CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
Herb Alias Names
TRISTEARIN555-43-1Glycerol tristearatePropane-1,2,3-triyl tristearateGlyceryl tristearateStearinTrioctadecanoinStearic triglycerideTRISTEAROYLGLYCEROLtriacylglycerol
Molecular Weight
891.5 g/mol
Molecular Formula
C57H110O6
Molecular Formula
C57H110O6
Num Rotatable Bonds
53