IngredientID 8366

Dymel a

C2H6O

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Herb: 2Ingredient: 1Target: 12Links: 14
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
8366
Core Entity Id
12469
Source Entity Count
1
Preferred Name
Dymel a
Name En
Pubchem Id
8254
Smiles Canonical
COC
Molecular Formula
C2H6O
Molecular Weight
46.0690
Inchikey
LCGLNKUTAGEVQW-UHFFFAOYSA-N
Inchi
InChI=1S/C2H6O/c1-3-2/h1-2H3
Isomeric Smiles
COC
Cas Id
115-10-6
Ob Score
56.3430
Mol Logp
0.2626
Num H Donors
0
Num H Acceptors
1
Num Rotatable Bonds
0
Drug Likeness
0.3800
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
Dymel A
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Dymel A
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Dymel A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Dymel a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Dymel a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Methylether
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Methylether
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
methylether
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(CH3)2O
Role
alias
Source
TCMBank
Preferred
No
Name
115-10-6
Role
alias
Source
TCMBank
Preferred
No
Name
115-10-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
115-10-6
Role
alias
Source
HERB_v2
Preferred
No
Name
157621-61-9
Role
alias
Source
TCMBank
Preferred
No
Name
295299_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
C11144
Role
alias
Source
TCMBank
Preferred
No
Name
CH3-O-CH3
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:28887
Role
alias
Source
TCMBank
Preferred
No
Name
DIMETHYL ETHER
Role
alias
Source
itcmdb_public
Preferred
No
Name
DIMETHYL ETHER
Role
alias
Source
HERB_v2
Preferred
No
Name
Demeon D
Role
alias
Source
TCMBank
Preferred
No
Name
Dimehtylether
Role
alias
Source
TCMBank
Preferred
No
Name
Dimethyl ether
Role
alias
Source
TCMBank
Preferred
No
Name
Dimethyl ether [UN1033] [Flammable gas]
Role
alias
Source
TCMBank
Preferred
No
Name
Dimethyl oxide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dimethyl oxide
Role
alias
Source
TCMBank
Preferred
No
Name
Dimethyl oxide
Role
alias
Source
HERB_v2
Preferred
No
Name
Dymel A
Role
alias
Source
TCMBank
Preferred
No
Name
Dymel A
Role
alias
Source
HERB_v2
Preferred
No
Name
Dymel A
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 204-065-8
Role
alias
Source
TCMBank
Preferred
No
Name
Ether, dimethyl
Role
alias
Source
TCMBank
Preferred
No
Name
Ether, methyl
Role
alias
Source
TCMBank
Preferred
No
Name
HSDB 354
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C2H6O/c1-3-2/h1-2H
Role
alias
Source
TCMBank
Preferred
No
Name
Methane, oxybis-
Role
alias
Source
HERB_v2
Preferred
No
Name
Methane, oxybis-
Role
alias
Source
TCMBank
Preferred
No
Name
Methane, oxybis-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methoxymethane
Role
alias
Source
HERB_v2
Preferred
No
Name
Methoxymethane
Role
alias
Source
TCMBank
Preferred
No
Name
Methoxymethane
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
Methyl ether
Role
alias
Source
TCMBank
Preferred
No
Name
Methyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methyl oxide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methyl oxide
Role
alias
Source
TCMBank
Preferred
No
Name
Methyl oxide
Role
alias
Source
HERB_v2
Preferred
No
Name
Oxybismethane
Role
alias
Source
TCMBank
Preferred
No
Name
Oxybismethane
Role
alias
Source
itcmdb_public
Preferred
No
Name
Oxybismethane
Role
alias
Source
HERB_v2
Preferred
No
Name
UN1033
Role
alias
Source
TCMBank
Preferred
No
Name
Wood ether
Role
alias
Source
HERB_v2
Preferred
No
Name
Wood ether
Role
alias
Source
TCMBank
Preferred
No
Name
Wood ether
Role
alias
Source
itcmdb_public
Preferred
No
Name
c0147
Role
alias
Source
TCMBank
Preferred
No

Aliases

Additional names normalized into the restored final schema.

Methylether(CH3)2O115-10-6157621-61-9295299_ALDRICHC11144CH3-O-CH3CHEBI:28887DIMETHYL ETHERDemeon DDimehtyletherDimethyl ether [UN1033] [Flammable gas]Dimethyl oxideEINECS 204-065-8Ether, dimethylEther, methylHSDB 354InChI=1/C2H6O/c1-3-2/h1-2HMethane, oxybis-MethoxymethaneMethyl etherMethyl oxideOxybismethaneUN1033Wood etherc0147

Cross References

Trusted external identifiers retained for this final record.

Cas
115-10-6
Herb
HBIN024586HBIN035212
Tcmid
32535
Tcmsp
MOL013273
Sym Map
SMIT13950
Pub Chem
8254
Tcmbank
TCMBANKIN061388
Etcm Ingredient
Dymel A
Itcmdb Generated
ITX-INGREDIENT-A8120C59B8F0

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C2H6O/c1-3-2/h1-2H3
Mol Wt
46.069
Cas Id
115-10-6
Smiles
COC
Mol Log P
0.2626000000000001
Version
v1,v2
In Ch Ikey
LCGLNKUTAGEVQW-UHFFFAOYSA-N
Ob Score
56.34356.34300456.34300423
Suppress
0
Num Hdonors
0
Drug Likeness
0.38
Num Hacceptors
1
Isomeric Smiles
COC
Molecule Weight
46.08
Canonical Smiles
COC
Herb Alias Names
DIMETHYL ETHERMethoxymethaneMethyl ether115-10-6Dimethyl oxideOxybismethaneMethane, oxybis-Methyl oxideWood ether
Molecular Weight
46.040
Molecular Weight
46.07 g/mol
Molecular Formula
C2H6O
Molecular Formula
C2H6O
Molecular Formula
C2H6O
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.199
Quantitative Estimate Of Drug Likeness(Qed)
0.380