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: 12Ingredient: 1Target: 12Links: 24
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 34564
- Core Entity Id
- 41613
- Source Entity Count
- 1
- Preferred Name
- Tau
- Name En
- Pubchem Id
- 69520
- Smiles Canonical
- CN1C=NC=C1CCN
- Molecular Formula
- C6H11N3
- Molecular Weight
- 125.1750
- Inchikey
- CPAGZVLINCPJEH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C6H11N3/c1-9-5-8-4-6(9)2-3-7/h4-5H,2-3,7H2,1H3
- Isomeric Smiles
- CN1C=NC=C1CCN
- Cas Id
- 107-35-7
- Ob Score
- 24.3710
- Mol Logp
- -0.0787
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6010
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Tau
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Tau
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Tau
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1H-Imidazole-5-ethanamine, 1-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
1H-Imidazole-5-ethanamine, 1-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(1-methyl-1H-imidazol-5-yl)ethan-1-amine
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(1-methyl-1H-imidazol-5-yl)ethan-1-amine
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(1-methyl-1H-imidazol-5-yl)ethanamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(1-methyl-1H-imidazol-5-yl)ethanamine
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(3-methylimidazol-4-yl)ethanamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(3-methylimidazol-4-yl)ethanamine
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Methylhistamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Methylhistamine
Role
alias
Source
HERB_v2
Preferred
No
Name
644-42-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
644-42-8
Role
alias
Source
HERB_v2
Preferred
No
Name
L-histamine deriv. 1
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-histamine deriv. 1
Role
alias
Source
HERB_v2
Preferred
No
Name
N-Tau-methylhistamine
Role
alias
Source
HERB_v2
Preferred
No
Name
N-Tau-methylhistamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tau-methylhistamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tau-methylhistamine
Role
alias
Source
HERB_v2
Preferred
No
Name
XAF2U6Z4G7
Role
alias
Source
HERB_v2
Preferred
No
Name
XAF2U6Z4G7
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1H-Imidazole-5-ethanamine, 1-methyl-2-(1-methyl-1H-imidazol-5-yl)ethan-1-amine2-(1-methyl-1H-imidazol-5-yl)ethanamine2-(3-methylimidazol-4-yl)ethanamine3-Methylhistamine644-42-8L-histamine deriv. 1N-Tau-methylhistamineTau-methylhistamineXAF2U6Z4G7
Cross References
Trusted external identifiers retained for this final record.
Cas
107-35-7
Herb
HBIN045576
Npass
NPC187191
Tcmid
33528
Tcmsp
MOL002223
Sym Map
SMIT04512
Pub Chem
69520
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C6H11N3/c1-9-5-8-4-6(9)2-3-7/h4-5H,2-3,7H2,1H3
Mol Wt
125.175
Cas Id
107-35-7
Mol Log P
-0.0787000000000001
Version
v1,v2
In Ch Ikey
CPAGZVLINCPJEH-UHFFFAOYSA-N
Ob Score
24.37124.37137319
Suppress
0
Num Hdonors
1
Drug Likeness
0.601
Num Hacceptors
3
Isomeric Smiles
CN1C=NC=C1CCN
Molecule Weight
125.17
Canonical Smiles
CN1C=NC=C1CCN
Herb Alias Names
3-Methylhistamine644-42-82-(3-methylimidazol-4-yl)ethanamineN-Tau-methylhistamineTau-methylhistamine2-(1-methyl-1H-imidazol-5-yl)ethanamine2-(1-methyl-1H-imidazol-5-yl)ethan-1-amine1H-Imidazole-5-ethanamine, 1-methyl-L-histamine deriv. 1XAF2U6Z4G7
Molecular Formula
C6H11N3
Num Rotatable Bonds
2