Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 8Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 20477
- Core Entity Id
- 25942
- Source Entity Count
- 1
- Preferred Name
- Glycerol-1-octadecanoate
- Name En
- Pubchem Id
- 24699
- Smiles Canonical
- CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O
- Molecular Formula
- C21H42O4
- Molecular Weight
- 358.5630
- Inchikey
- VBICKXHEKHSIBG-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)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O
- 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
Glycerol-1-octadecanoate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Glycerol-1-octadecanoate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
glycerol-1-octadecanoate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-MONOSTEARIN
Role
alias
Source
HERB_v2
Preferred
No
Name
1-MONOSTEARIN
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Stearoyl-rac-glycerol
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Stearoyl-rac-glycerol
Role
alias
Source
itcmdb_public
Preferred
No
Name
123-94-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
123-94-4
Role
alias
Source
HERB_v2
Preferred
No
Name
2,3-dihydroxypropyl octadecanoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,3-dihydroxypropyl octadecanoate
Role
alias
Source
HERB_v2
Preferred
No
Name
31566-31-1
Role
alias
Source
HERB_v2
Preferred
No
Name
31566-31-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
GLYCEROL MONOSTEARATE
Role
alias
Source
itcmdb_public
Preferred
No
Name
GLYCEROL MONOSTEARATE
Role
alias
Source
HERB_v2
Preferred
No
Name
Glyceryl monostearate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Glyceryl monostearate
Role
alias
Source
HERB_v2
Preferred
No
Name
Glyceryl stearate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Glyceryl stearate
Role
alias
Source
HERB_v2
Preferred
No
Name
Monostearin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Monostearin
Role
alias
Source
HERB_v2
Preferred
No
Name
Tegin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tegin
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-MONOSTEARIN1-Stearoyl-rac-glycerol123-94-42,3-dihydroxypropyl octadecanoate31566-31-1GLYCEROL MONOSTEARATEGlyceryl monostearateGlyceryl stearateMonostearinTegin
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN028111HBIN002550HBIN002925
Npass
NPC53463
Tcmid
356673888315941
Pub Chem
24699
Tcmbank
TCMBANKIN027935TCMBANKIN061094
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)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3
Mol Wt
358.563
Smiles
CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O
Mol Log P
5.144300000000007
In Ch Ikey
VBICKXHEKHSIBG-UHFFFAOYSA-N
Num Hdonors
2
Drug Likeness
0.248
Num Hacceptors
4
Isomeric Smiles
CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O
Canonical Smiles
CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O
Herb Alias Names
Glyceryl monostearate123-94-4Monostearin31566-31-1GLYCEROL MONOSTEARATEGlyceryl stearateTegin1-Stearoyl-rac-glycerol2,3-dihydroxypropyl octadecanoate1-MONOSTEARIN
Molecular Weight
358.6 g/mol
Molecular Formula
C21H42O4
Molecular Formula
C21H42O4
Num Rotatable Bonds
19