Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 12Links: 24
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18661
- Core Entity Id
- 23919
- Source Entity Count
- 1
- Preferred Name
- Ether
- Name En
- Pubchem Id
- 3283
- Smiles Canonical
- CCOCC
- Molecular Formula
- C4H10O
- Molecular Weight
- 74.1230
- Inchikey
- RTZKZFJDLAIYFH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3
- Isomeric Smiles
- CCOCC
- Cas Id
- 60-29-7
- Ob Score
- 55.7455
- Mol Logp
- 1.0428
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.4750
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ether
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ether
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Ether
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ether
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
60-29-7
Role
alias
Source
HERB_v2
Preferred
No
Name
60-29-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
Aether
Role
alias
Source
itcmdb_public
Preferred
No
Name
Aether
Role
alias
Source
HERB_v2
Preferred
No
Name
DIETHYL ETHER
Role
alias
Source
itcmdb_public
Preferred
No
Name
DIETHYL ETHER
Role
alias
Source
HERB_v2
Preferred
No
Name
Diethyl oxide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Diethyl oxide
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethoxyethane
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethoxyethane
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethyl oxide
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethyl oxide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pronarcol
Role
alias
Source
HERB_v2
Preferred
No
Name
Pronarcol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Diethyl ether
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
60-29-7AetherDIETHYL ETHERDiethyl oxideEthoxyethaneEthyl etherEthyl oxidePronarcol
Cross References
Trusted external identifiers retained for this final record.
Cas
60-29-7
Herb
HBIN025837
Npass
NPC162304
Tcmid
39887
Tcmsp
MOL009549
Sym Map
SMIT10666
Pub Chem
3283
Tcmbank
TCMBANKIN061279
Etcm Ingredient
Ether
Itcmdb Generated
ITX-INGREDIENT-908A3AAB0BEB
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3
Mol Wt
74.123
Cas Id
60-29-7
Smiles
CCOCC
Mol Log P
1.0428
Version
v1,v2
In Ch Ikey
RTZKZFJDLAIYFH-UHFFFAOYSA-N
Ob Score
55.7455237355.746
Suppress
0
Num Hdonors
0
Drug Likeness
0.475
Num Hacceptors
1
Isomeric Smiles
CCOCC
Molecule Weight
74.14
Canonical Smiles
CCOCC
Herb Alias Names
DIETHYL ETHEREthyl etherEthoxyethane60-29-7PronarcolDiethyl oxideEthyl oxideAetherDIETHYLETHER
Molecular Weight
74.070
Molecular Weight
74.12 g/mol
Molecular Formula
C4H10O
Molecular Formula
C4H10O
Molecular Formula
C4H10O
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.018
Quantitative Estimate Of Drug Likeness（Qed）
0.475