Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 2Links: 4
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2480
- Core Entity Id
- 5943
- Source Entity Count
- 1
- Preferred Name
- [(2r)-2,3-dihydroxypropyl] acetate
- Name En
- Pubchem Id
- 6999061
- Smiles Canonical
- CC(=O)OCC(CO)O
- Molecular Formula
- C5H10O4
- Molecular Weight
- 134.1310
- Inchikey
- KMZHZAAOEWVPSE-RXMQYKEDSA-N
- Inchi
- InChI=1S/C5H10O4/c1-4(7)9-3-5(8)2-6/h5-6,8H,2-3H2,1H3/t5-/m1/s1
- Isomeric Smiles
- CC(=O)OC[C@@H](CO)O
- Cas Id
- 26446-35-5
- Ob Score
- 40.6827
- Mol Logp
- -1.0973
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.4810
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
[(2R)-2,3-Dihydroxypropyl] Acetate
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
[(2R)-2,3-Dihydroxypropyl] Acetate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
[(2R)-2,3-dihydroxypropyl] acetate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
[(2R)-2,3-dihydroxypropyl] acetate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
[(2r)-2,3-dihydroxypropyl] acetate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
[(2r)-2,3-dihydroxypropyl] acetate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
((2R)-2,3-dihydroxypropyl) acetate
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1R)-1-glycerol acetate
Role
alias
Source
HERB_v2
Preferred
No
Name
(1R)-1-glycerol acetate
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R)-2,3-DIHYDROXYPROPYL ACETATE
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R)-2,3-Dihydroxypropyl acetic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R)-2,3-Dihydroxypropyl acetic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(R)-3-acetoxypropane-1,2-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(R)-3-acetoxypropane-1,2-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
3-acetyl-sn-glycerol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-acetyl-sn-glycerol
Role
alias
Source
HERB_v2
Preferred
No
Name
57416-04-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
57416-04-3
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID801336547
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID801336547
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27461707
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27461707
Role
alias
Source
HERB_v2
Preferred
No
Name
ZINC02015933
Role
alias
Source
TCMBank
Preferred
No
Name
[(2R)-2,3-dihydroxypropyl] ethanoate
Role
alias
Source
TCMBank
Preferred
No
Name
acetic acid [(2R)-2,3-dihydroxypropyl] ester
Role
alias
Source
TCMBank
Preferred
No
Name
Monoacetin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
monoacetin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-Monoacetin
Role
alias
Source
HERB_v2
Preferred
No
Name
106-61-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,3-Dihydroxypropyl acetate
Role
alias
Source
itcmdb_public
Preferred
No
Name
26446-35-5
Role
alias
Source
HERB_v2
Preferred
No
Name
Acetin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Acetoglyceride
Role
alias
Source
itcmdb_public
Preferred
No
Name
Glycerol monoacetate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Glyceryl acetate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Glyceryl monoacetate
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
((2R)-2,3-dihydroxypropyl) acetate(1R)-1-glycerol acetate(2R)-2,3-DIHYDROXYPROPYL ACETATE(2R)-2,3-Dihydroxypropyl acetic acid(R)-3-acetoxypropane-1,2-diol3-acetyl-sn-glycerol57416-04-3DTXSID801336547Q27461707ZINC02015933[(2R)-2,3-dihydroxypropyl] ethanoateacetic acid [(2R)-2,3-dihydroxypropyl] esterMonoacetin1-Monoacetin106-61-62,3-Dihydroxypropyl acetate26446-35-5AcetinAcetoglycerideGlycerol monoacetateGlyceryl acetateGlyceryl monoacetate
Cross References
Trusted external identifiers retained for this final record.
Cas
26446-35-5
Herb
HBIN006364HBIN035668
Npass
NPC54238
Tcmid
32988
Tcmsp
MOL003581
Sym Map
SMIT05630
Pub Chem
699906133510
Tcmbank
TCMBANKIN034686TCMBANKIN030305
Etcm Ingredient
[(2R)-2,3-dihydroxypropyl] acetate
Itcmdb Generated
ITX-INGREDIENT-FB84DF9239ED
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C5H10O4/c1-4(7)9-3-5(8)2-6/h5-6,8H,2-3H2,1H3/t5-/m1/s1
Mol Wt
134.131
Cas Id
26446-35-5
Smiles
CC(=O)OCC(CO)O
Mol Log P
-1.0973
Version
v1,v2
In Ch Ikey
KMZHZAAOEWVPSE-RXMQYKEDSA-N
Ob Score
40.6827217240.68272240.683
Suppress
0
Num Hdonors
2
Drug Likeness
0.481
Num Hacceptors
4
Isomeric Smiles
CC(=O)OC[C@@H](CO)O
Molecule Weight
134.15
Canonical Smiles
CC(=O)OCC(CO)O
Herb Alias Names
(2R)-2,3-DIHYDROXYPROPYL ACETATE((2R)-2,3-dihydroxypropyl) acetate(R)-3-acetoxypropane-1,2-diol3-acetyl-sn-glycerol57416-04-3(1R)-1-glycerol acetateDTXSID801336547(2R)-2,3-Dihydroxypropyl acetic acidQ27461707
Molecular Weight
134.060
Molecular Weight
134.15
Molecular Formula
C5H10O4
Molecular Formula
C5H10O4
Molecular Formula
C5H10O4
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.007
Quantitative Estimate Of Drug Likeness（Qed）
0.481