Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 27854
- Core Entity Id
- 34145
- Source Entity Count
- 1
- Preferred Name
- Nonyl ethyl ether
- Name En
- Pubchem Id
- 12714344
- Smiles Canonical
- CCCCCCCCCOCC
- Molecular Formula
- C11H24O
- Molecular Weight
- 172.3120
- Inchikey
- BCHGIXRCMJWXGE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H24O/c1-3-5-6-7-8-9-10-11-12-4-2/h3-11H2,1-2H3
- Isomeric Smiles
- CCCCCCCCCOCC
- Cas Id
- Ob Score
- Mol Logp
- 3.7735
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 9
- Drug Likeness
- 0.4810
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Nonyl Ethyl Ether
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Nonyl ethyl ether
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Nonyl ethyl ether
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Nonyl ethyl ether
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
nonyl ethyl ether
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-ETHOXYNONANE
Role
alias
Source
HERB_v2
Preferred
No
Name
1-ETHOXYNONANE
Role
alias
Source
itcmdb_public
Preferred
No
Name
16979-32-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
16979-32-1
Role
alias
Source
HERB_v2
Preferred
No
Name
3-ethoxynonane
Role
alias
Source
TCMBank
Preferred
No
Name
68439-45-2
Role
alias
Source
HERB_v2
Preferred
No
Name
68439-45-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
9MQ5HP76LU
Role
alias
Source
HERB_v2
Preferred
No
Name
9MQ5HP76LU
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1NSZ60
Role
alias
Source
TCMBank
Preferred
No
Name
BCHGIXRCMJWXGE-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
BCHGIXRCMJWXGE-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
ETHYL NONYL ETHER
Role
alias
Source
HERB_v2
Preferred
No
Name
ETHYL NONYL ETHER
Role
alias
Source
itcmdb_public
Preferred
No
Name
Nonane, 1-ethoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Nonane, 1-ethoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL200018
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL200018
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-9MQ5HP76LU
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-9MQ5HP76LU
Role
alias
Source
itcmdb_public
Preferred
No
Name
ethyl 1-ethylheptyl ether
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-ETHOXYNONANE16979-32-13-ethoxynonane68439-45-29MQ5HP76LUAC1NSZ60BCHGIXRCMJWXGE-UHFFFAOYSA-NETHYL NONYL ETHERNonane, 1-ethoxy-SCHEMBL200018UNII-9MQ5HP76LUethyl 1-ethylheptyl ether
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN037270
Tcmid
15691
Sym Map
SMIT16892
Pub Chem
12714344
Tcmbank
TCMBANKIN008489
Etcm Ingredient
Nonyl ethyl ether
Itcmdb Generated
ITX-INGREDIENT-603E78B757E6
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C11H24O/c1-3-5-6-7-8-9-10-11-12-4-2/h3-11H2,1-2H3
Mol Wt
172.312
Smiles
CCCCCCCCCOCC
Mol Log P
3.773500000000003
Version
v1,v2
In Ch Ikey
BCHGIXRCMJWXGE-UHFFFAOYSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.481
Num Hacceptors
1
Isomeric Smiles
CCCCCCCCCOCC
Canonical Smiles
CCCCCCCCCOCC
Herb Alias Names
1-ETHOXYNONANEETHYL NONYL ETHERNonane, 1-ethoxy-9MQ5HP76LU16979-32-168439-45-2UNII-9MQ5HP76LUSCHEMBL200018BCHGIXRCMJWXGE-UHFFFAOYSA-N
Molecular Weight
172.180
Molecular Weight
172.31 g/mol
Molecular Formula
C11H24O
Molecular Formula
C11H24O
Molecular Formula
C11H24O
Num Rotatable Bonds
9
Fda Maximum Daily Dose (Fdamdd)
0.127
Quantitative Estimate Of Drug Likeness（Qed）
0.506