Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2258
- Core Entity Id
- 5698
- Source Entity Count
- 1
- Preferred Name
- 2-monostearin
- Name En
- Pubchem Id
- 79075
- Smiles Canonical
- CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO
- Molecular Formula
- C21H42O4
- Molecular Weight
- 358.5630
- Inchikey
- YQEMORVAKMFKLG-UHFFFAOYSA-N
- Inchi
- InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h20,22-23H,2-19H2,1H3
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO
- Cas Id
- Ob Score
- Mol Logp
- 5.1443
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 19
- Drug Likeness
- 0.2480
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-monostearin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-monostearin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-monostearin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1,3-dihydroxypropan-2-yl octadecanoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,3-dihydroxypropan-2-yl octadecanoate
Role
alias
Source
HERB_v2
Preferred
No
Name
1,3-dihydroxypropan-2-yl stearate
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,3-dihydroxypropan-2-yl stearate
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Monooctadecanoylglycerol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Monooctadecanoylglycerol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Monostearoylglycerol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Monostearoylglycerol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Stearoyl-rac-glycerol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Stearoyl-rac-glycerol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Stearoylglycerol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Stearoylglycerol
Role
alias
Source
HERB_v2
Preferred
No
Name
621-61-4
Role
alias
Source
HERB_v2
Preferred
No
Name
621-61-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
Glyceryl 2-stearate
Role
alias
Source
HERB_v2
Preferred
No
Name
Glyceryl 2-stearate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Stearin, 2-mono-
Role
alias
Source
HERB_v2
Preferred
No
Name
Stearin, 2-mono-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,3-dihydroxypropan-2-yl octadecanoate1,3-dihydroxypropan-2-yl stearate2-Monooctadecanoylglycerol2-Monostearoylglycerol2-Stearoyl-rac-glycerol2-Stearoylglycerol621-61-4Glyceryl 2-stearateStearin, 2-mono-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN006108
Tcmid
39284
Pub Chem
79075
Tcmbank
TCMBANKIN029112
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h20,22-23H,2-19H2,1H3
Mol Wt
358.563
Smiles
CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO
Mol Log P
5.144300000000007
In Ch Ikey
YQEMORVAKMFKLG-UHFFFAOYSA-N
Num Hdonors
2
Drug Likeness
0.248
Num Hacceptors
4
Isomeric Smiles
CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO
Canonical Smiles
CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO
Herb Alias Names
2-Stearoylglycerol621-61-42-Monostearoylglycerol1,3-dihydroxypropan-2-yl octadecanoate2-Stearoyl-rac-glycerol1,3-dihydroxypropan-2-yl stearateGlyceryl 2-stearateStearin, 2-mono-2-Monooctadecanoylglycerol
Molecular Weight
358.6 g/mol
Molecular Formula
C21H42O4
Molecular Formula
C21H42O4
Num Rotatable Bonds
19