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: 7Ingredient: 1Target: 2Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 11314
- Core Entity Id
- 15742
- Source Entity Count
- 1
- Preferred Name
- Areginal
- Name En
- Pubchem Id
- 8025
- Smiles Canonical
- CCOC=O
- Molecular Formula
- C3H6O2
- Molecular Weight
- 74.0790
- Inchikey
- WBJINCZRORDGAQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3
- Isomeric Smiles
- CCOC=O
- Cas Id
- 109-94-4
- Ob Score
- 44.3320
- Mol Logp
- 0.1793
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.4370
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Areginal
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Areginal
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Areginal
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Areginal
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
109-94-4
Role
alias
Source
HERB_v2
Preferred
No
Name
109-94-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
Aethylformiat
Role
alias
Source
itcmdb_public
Preferred
No
Name
Aethylformiat
Role
alias
Source
HERB_v2
Preferred
No
Name
ETHYL FORMATE
Role
alias
Source
HERB_v2
Preferred
No
Name
ETHYL FORMATE
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethyl formic ester
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethyl formic ester
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethyl methanoate
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethyl methanoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethylformiaat
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethylformiaat
Role
alias
Source
itcmdb_public
Preferred
No
Name
Formic acid ethyl ester
Role
alias
Source
itcmdb_public
Preferred
No
Name
Formic acid, ethyl ester
Role
alias
Source
HERB_v2
Preferred
No
Name
Formic ether
Role
alias
Source
HERB_v2
Preferred
No
Name
Formic ether
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethyl formate
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
109-94-4AethylformiatETHYL FORMATEEthyl formic esterEthyl methanoateEthylformiaatFormic acid ethyl esterFormic acid, ethyl esterFormic ether
Cross References
Trusted external identifiers retained for this final record.
Cas
109-94-4
Herb
HBIN016700HBIN025915
Tcmid
33636
Tcmsp
MOL006731
Sym Map
SMIT08299
Tcm Id
4491
Pub Chem
8025
Tcmbank
TCMBANKIN061270
Etcm Ingredient
Areginal
Itcmdb Generated
ITX-INGREDIENT-038A99F92948
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3
Mol Wt
74.07900000000001
Cas Id
109-94-4
Smiles
CCOC=O
Mol Log P
0.1793
Version
v1,v2
In Ch Ikey
WBJINCZRORDGAQ-UHFFFAOYSA-N
Ob Score
44.33244.3322731
Suppress
0
Num Hdonors
0
Drug Likeness
0.437
Num Hacceptors
2
Isomeric Smiles
CCOC=O
Molecule Weight
74.09
Canonical Smiles
CCOC=O
Herb Alias Names
ETHYL FORMATE109-94-4Formic acid, ethyl esterEthyl methanoateFormic acid ethyl esterEthyl formic esterAethylformiatFormic etherEthylformiaat
Molecular Weight
74.040
Molecular Weight
74.08
Molecular Formula
C3H6O2
Molecular Formula
C3H6O2
Molecular Formula
C3H6O2
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.018
Quantitative Estimate Of Drug Likeness（Qed）
0.437