Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Target: 7Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1852
- Core Entity Id
- 5246
- Source Entity Count
- 1
- Preferred Name
- 2-ethyl-1,2,3-propanetriylbutanoate
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C9H14O2
- Molecular Weight
- 154.2300
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- 63.7570
- Mol Logp
- Num H Donors
- Num H Acceptors
- Num Rotatable Bonds
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Ethyl-1,2,3-Propanetriylbutanoate
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2-Ethyl-1,2,3-Propanetriylbutanoate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-ethyl-1,2,3-propanetriylbutanoate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2-ethyl-1,2,3-propanetriylbutanoate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-ethyl-1,2,3-propanetriylbutanoate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-ethyl-1,2,3-propanetriylbutanoate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005601
Tcmsp
MOL009699
Sym Map
SMIT10789
Tcmbank
TCMBANKIN007121
Etcm Ingredient
2-ethyl-1,2,3-propanetriylbutanoate
Itcmdb Generated
ITX-INGREDIENT-53A6E2D135A6
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Ob Score
63.75763.75731263.75731215
Suppress
0
Molecule Weight
154.23
Molecular Weight
154.100
Molecular Weight
154.23
Molecular Formula
C9H14O2
Fda Maximum Daily Dose (Fdamdd)
0.205
Quantitative Estimate Of Drug Likeness（Qed）
0.536