Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 7Links: 11
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2256
- Core Entity Id
- 5696
- Source Entity Count
- 1
- Preferred Name
- 2-monoolein
- Name En
- Pubchem Id
- 5319879
- Smiles Canonical
- CCCCCCCCC=CCCCCCCCC(=O)OC(CO)CO
- Molecular Formula
- C21H40O4
- Molecular Weight
- 356.5470
- Inchikey
- UPWGQKDVAURUGE-KTKRTIGZSA-N
- Inchi
- InChI=1S/C21H40O4/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/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-
- Isomeric Smiles
- CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO
- Cas Id
- 3443-84-3
- Ob Score
- 34.2350
- Mol Logp
- 4.9203
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 18
- Drug Likeness
- 0.2080
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Monoolein
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2-Monoolein
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-monoolein
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-monoolein
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1,3-dihydroxypropan-2-yl oleate
Role
alias
Source
HERB_v2
Preferred
No
Name
1,3-dihydroxypropan-2-yl oleate
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Glyceryl monooleate
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Glyceryl monooleate
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Monooleoylglycerol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Monooleoylglycerol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-OG
Role
alias
Source
HERB_v2
Preferred
No
Name
2-OG
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Oleoylglycerol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-oleoyl-glycerol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3443-84-3
Role
alias
Source
HERB_v2
Preferred
No
Name
3443-84-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
Glycerol 2-monooleate
Role
alias
Source
HERB_v2
Preferred
No
Name
Glycerol 2-monooleate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Glyceryl 2-oleate
Role
alias
Source
HERB_v2
Preferred
No
Name
Glyceryl 2-oleate
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,3-dihydroxypropan-2-yl oleate2-Glyceryl monooleate2-Monooleoylglycerol2-OG2-Oleoylglycerol2-oleoyl-glycerol3443-84-3Glycerol 2-monooleateGlyceryl 2-oleate
Cross References
Trusted external identifiers retained for this final record.
Cas
3443-84-3
Herb
HBIN006106
Npass
NPC148192
Tcmid
39283
Tcmsp
MOL008121
Sym Map
SMIT09449
Pub Chem
5319879
Etcm Ingredient
2-Monoolein
Itcmdb Generated
ITX-INGREDIENT-D9354FE0FCF1
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C21H40O4/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/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-
Mol Wt
356.547
Cas Id
3443-84-3
Mol Log P
4.920300000000006
Version
v1,v2
In Ch Ikey
UPWGQKDVAURUGE-KTKRTIGZSA-N
Ob Score
34.2349738134.235
Suppress
0
Num Hdonors
2
Drug Likeness
0.208
Num Hacceptors
4
Isomeric Smiles
CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO
Molecule Weight
356.61
Canonical Smiles
CCCCCCCCC=CCCCCCCCC(=O)OC(CO)CO
Herb Alias Names
2-Oleoylglycerol3443-84-32-Monooleoylglycerol2-oleoyl-glycerol2-Glyceryl monooleateGlyceryl 2-oleateGlycerol 2-monooleate2-OG1,3-dihydroxypropan-2-yl oleate
Molecular Weight
356.290
Molecular Formula
C21H40O4
Molecular Formula
C21H40O4
Num Rotatable Bonds
18
Fda Maximum Daily Dose (Fdamdd)
0.008
Quantitative Estimate Of Drug Likeness（Qed）
0.208