Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 27768
- Core Entity Id
- 34047
- Source Entity Count
- 1
- Preferred Name
- N,n-dimethylconiine
- Name En
- Pubchem Id
- 5316883
- Smiles Canonical
- CCCC1CCCC[N+]1(C)C
- Molecular Formula
- C10H22N+
- Molecular Weight
- 156.2930
- Inchikey
- DUMHGORTMDIJNA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H22N/c1-4-7-10-8-5-6-9-11(10,2)3/h10H,4-9H2,1-3H3/q+1
- Isomeric Smiles
- CCCC1CCCC[N+]1(C)C
- Cas Id
- Ob Score
- 0.1920
- Mol Logp
- 2.4154
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.5390
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
N,N-Dimethylconiine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
N,N-Dimethylconiine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
N,N-Dimethylconiine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
N,n-dimethylconiine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
N,n-dimethylconiine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
SCHEMBL19114204
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL19114204
Role
alias
Source
itcmdb_public
Preferred
No
Name
n,n-dimethylconiine
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
SCHEMBL19114204
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN037140
Npass
NPC154318
Tcmid
6331
Tcmsp
MOL009994
Sym Map
SMIT11073
Pub Chem
5316883
Tcmbank
TCMBANKIN001278
Etcm Ingredient
N,N-Dimethylconiine
Itcmdb Generated
ITX-INGREDIENT-9B6A49DF475B
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H22N/c1-4-7-10-8-5-6-9-11(10,2)3/h10H,4-9H2,1-3H3/q+1
Mol Wt
156.293
Smiles
CCCC1CCCC[N+]1(C)C
Mol Log P
2.415400000000001
Version
v1,v2
In Ch Ikey
DUMHGORTMDIJNA-UHFFFAOYSA-N
Ob Score
0.1920.1924048430.192405
Suppress
0
Num Hdonors
0
Drug Likeness
0.539
Num Hacceptors
0
Isomeric Smiles
CCCC1CCCC[N+]1(C)C
Molecule Weight
156.33
Canonical Smiles
CCCC1CCCC[N+]1(C)C
Herb Alias Names
SCHEMBL19114204
Molecular Weight
156.170
Molecular Weight
156.33
Molecular Formula
C10H22N+
Molecular Formula
C10H22N+
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.925
Quantitative Estimate Of Drug Likeness（Qed）
0.539