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
- 63898
- Core Entity Id
- 110916
- Source Entity Count
- 1
- Preferred Name
- Glycerol 1-Propanoate Diacetate
- Name En
- Pubchem Id
- 20111767
- Smiles Canonical
- CCC(=O)OCC(COC(=O)C)OC(=O)C
- Molecular Formula
- C10H16O6
- Molecular Weight
- 232.2300
- Inchikey
- LVONJPHZHFUJEU-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H16O6/c1-4-10(13)15-6-9(16-8(3)12)5-14-7(2)11/h9H,4-6H2,1-3H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.7000
- Num H Donors
- 0
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 9
- Drug Likeness
- Polar Surface Area
- 78.9000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Glycerol 1-Propanoate Diacetate
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Glycerol 1-Propanoate Diacetate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT24270
Itcmdb Generated
ITX-INGREDIENT-FE0D0A782381
Attributes
Merged source attributes and domain-specific metadata.
Type
Metabolic ingredients
Version
v2
Suppress
0