Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 10Links: 11
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2012
- Core Entity Id
- 5426
- Source Entity Count
- 1
- Preferred Name
- 2-hydroxyethyl-trimethyl ammonium hydroxide
- Name En
- Pubchem Id
- 31255
- Smiles Canonical
- C[N+](C)(C)CCO.[OH-]
- Molecular Formula
- C5H15NO2
- Molecular Weight
- 121.1800
- Inchikey
- KIZQNNOULOCVDM-UHFFFAOYSA-M
- Inchi
- InChI=1S/C5H14NO.H2O/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H2/q+1;/p-1
- Isomeric Smiles
- C[N+](C)(C)CCO.[OH-]
- Cas Id
- Ob Score
- Mol Logp
- -0.4919
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.5010
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-hydroxyethyl-trimethyl ammonium hydroxide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-hydroxyethyl-trimethyl ammonium hydroxide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-hydroxyethyl-trimethyl ammonium hydroxide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2-Hydroxyethyl)trimethylammonium hydroxide
Role
alias
Source
HERB_v2
Preferred
No
Name
(2-Hydroxyethyl)trimethylammonium hydroxide
Role
alias
Source
itcmdb_public
Preferred
No
Name
123-41-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
123-41-1
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Hydroxy-N,N,N-trimethylethanaminium hydroxide
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Hydroxy-N,N,N-trimethylethanaminium hydroxide
Role
alias
Source
HERB_v2
Preferred
No
Name
Bursine
Role
alias
Source
HERB_v2
Preferred
No
Name
Bursine
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHOLINE HYDROXIDE
Role
alias
Source
HERB_v2
Preferred
No
Name
CHOLINE HYDROXIDE
Role
alias
Source
itcmdb_public
Preferred
No
Name
Fagine
Role
alias
Source
HERB_v2
Preferred
No
Name
Fagine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Gossypine
Role
alias
Source
HERB_v2
Preferred
No
Name
Gossypine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Luridine
Role
alias
Source
HERB_v2
Preferred
No
Name
Luridine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sincaline
Role
alias
Source
HERB_v2
Preferred
No
Name
Sincaline
Role
alias
Source
itcmdb_public
Preferred
No
Name
Vidine
Role
alias
Source
HERB_v2
Preferred
No
Name
Vidine
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2-Hydroxyethyl)trimethylammonium hydroxide123-41-12-Hydroxy-N,N,N-trimethylethanaminium hydroxideBursineCHOLINE HYDROXIDEFagineGossypineLuridineSincalineVidine
Cross References
Trusted external identifiers retained for this final record.
Hit
C0606
Herb
HBIN005799
Tcmid
24613
Pub Chem
31255
Tcmbank
TCMBANKIN020840
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C5H14NO.H2O/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H2/q+1;/p-1
Mol Wt
121.18
Smiles
C[N+](C)(C)CCO.[OH-]
Mol Log P
-0.4918999999999998
In Ch Ikey
KIZQNNOULOCVDM-UHFFFAOYSA-M
Num Hdonors
1
Drug Likeness
0.501
Num Hacceptors
2
Isomeric Smiles
C[N+](C)(C)CCO.[OH-]
Canonical Smiles
C[N+](C)(C)CCO.[OH-]
Herb Alias Names
CHOLINE HYDROXIDE123-41-1SincalineBursineGossypineFagineVidine2-Hydroxy-N,N,N-trimethylethanaminium hydroxideLuridine(2-Hydroxyethyl)trimethylammonium hydroxide
Molecular Weight
121.18 g/mol
Molecular Formula
C5H15NO2
Molecular Formula
C5H15NO2
Num Rotatable Bonds
2