Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 3Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2257
- Core Entity Id
- 5697
- Source Entity Count
- 1
- Preferred Name
- 2-monopalmitin
- Name En
- Pubchem Id
- 123409
- Smiles Canonical
- CCCCCCCCCCCCCCCC(=O)OC(CO)CO
- Molecular Formula
- C19H38O4
- Molecular Weight
- 330.5090
- Inchikey
- BBNYCLAREVXOSG-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-18(16-20)17-21/h18,20-21H,2-17H2,1H3
- Isomeric Smiles
- CCCCCCCCCCCCCCCC(=O)OC(CO)CO
- Cas Id
- 23470-00-0
- Ob Score
- 26.7380
- Mol Logp
- 4.3641
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 17
- Drug Likeness
- 0.3070
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Monopalmitin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2-Monopalmitin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2-Monopalmitin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-Monopalmitin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-monopalmitin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-monopalmitin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1,3-dihydroxypropan-2-yl hexadecanoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,3-dihydroxypropan-2-yl hexadecanoate
Role
alias
Source
HERB_v2
Preferred
No
Name
1,3-dihydroxypropan-2-yl palmitate
Role
alias
Source
HERB_v2
Preferred
No
Name
1,3-dihydroxypropan-2-yl palmitate
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Hexadecanoyl glycerol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Hexadecanoyl glycerol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Monopalmitoylglycerol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Monopalmitoylglycerol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Palmitoyl-rac-glycerol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Palmitoyl-rac-glycerol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Palmitoylglycerol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-palmitoyl-glycerol
Role
alias
Source
itcmdb_public
Preferred
No
Name
23470-00-0
Role
alias
Source
HERB_v2
Preferred
No
Name
23470-00-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
Glycerol, 2-palmitate
Role
alias
Source
HERB_v2
Preferred
No
Name
Glycerol, 2-palmitate
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,3-dihydroxypropan-2-yl hexadecanoate1,3-dihydroxypropan-2-yl palmitate2-Hexadecanoyl glycerol2-Monopalmitoylglycerol2-Palmitoyl-rac-glycerol2-Palmitoylglycerol2-palmitoyl-glycerol23470-00-0Glycerol, 2-palmitate
Cross References
Trusted external identifiers retained for this final record.
Cas
23470-00-0
Herb
HBIN006107HBIN038694
Npass
NPC23155
Tcmid
4070840709
Tcmsp
MOL005553
Sym Map
SMIT07296
Pub Chem
123409
Tcmbank
TCMBANKIN061065
Etcm Ingredient
2-Monopalmitin
Itcmdb Generated
ITX-INGREDIENT-1E3A14D984FC
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-18(16-20)17-21/h18,20-21H,2-17H2,1H3
Mol Wt
330.509
Cas Id
23470-00-0
Smiles
CCCCCCCCCCCCCCCC(=O)OC(CO)CO
Mol Log P
4.364100000000005
Version
v1,v2
In Ch Ikey
BBNYCLAREVXOSG-UHFFFAOYSA-N
Ob Score
26.73826.7380665626.738067
Suppress
0
Num Hdonors
2
Drug Likeness
0.307
Num Hacceptors
4
Isomeric Smiles
CCCCCCCCCCCCCCCC(=O)OC(CO)CO
Molecule Weight
330.57
Canonical Smiles
CCCCCCCCCCCCCCCC(=O)OC(CO)CO
Herb Alias Names
2-Palmitoylglycerol23470-00-02-Monopalmitoylglycerol1,3-dihydroxypropan-2-yl palmitate2-palmitoyl-glycerol2-Hexadecanoyl glycerol1,3-dihydroxypropan-2-yl hexadecanoate2-Palmitoyl-rac-glycerolGlycerol, 2-palmitate
Molecular Weight
330.280
Molecular Weight
330.5
Molecular Formula
C19H38O4
Molecular Formula
C19H38O4
Molecular Formula
C19H38O4
Num Rotatable Bonds
17
Fda Maximum Daily Dose (Fdamdd)
0.008
Quantitative Estimate Of Drug Likeness（Qed）
0.307