Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 2Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 64897
- Core Entity Id
- 111915
- Source Entity Count
- 1
- Preferred Name
- Triethyl Citrate
- Name En
- Pubchem Id
- 6506
- Smiles Canonical
- CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)O
- Molecular Formula
- C12H20O7
- Molecular Weight
- 276.1200
- Inchikey
- DOOTYTYQINUNNV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C12H20O7/c1-4-17-9(13)7-12(16,11(15)19-6-3)8-10(14)18-5-2/h16H,4-8H2,1-3H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.1000
- Num H Donors
- 1
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 11
- Drug Likeness
- Polar Surface Area
- 99.1000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Triethyl Citrate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
triethyl citrate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT27280
Etcm Ingredient
triethyl citrate
Itcmdb Generated
ITX-INGREDIENT-1D25D8D79D64ITX-INGREDIENT-F478CB4E51EC
Attributes
Merged source attributes and domain-specific metadata.
Type
Metabolic ingredients
Version
v2
Suppress
0
Molecular Weight
276.120
Molecular Formula
C12H20O7
Fda Maximum Daily Dose (Fdamdd)
0.021
Quantitative Estimate Of Drug Likeness（Qed）
0.499