Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Trial: 2Herb: 1Ingredient: 1Target: 12Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 30240
- Core Entity Id
- 36797
- Source Entity Count
- 1
- Preferred Name
- Plumb
- Name En
- Pubchem Id
- 3676
- Smiles Canonical
- CCN(CC)CC(=O)NC1=C(C=CC=C1C)C
- Molecular Formula
- C14H22N2O
- Molecular Weight
- 234.3430
- Inchikey
- NNJVILVZKWQKPM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)
- Isomeric Smiles
- CCN(CC)CC(=O)NC1=C(C=CC=C1C)C
- Cas Id
- Ob Score
- Mol Logp
- 2.5837
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.8490
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Plumb
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Plumb
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Plumb
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Plumb
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
plumb
Role
preferred
Source
TCMBank
Preferred
Yes
Name
137-58-6
Role
alias
Source
HERB_v2
Preferred
No
Name
137-58-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(Diethylamino)-N-(2,6-dimethylphenyl)acetamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(Diethylamino)-N-(2,6-dimethylphenyl)acetamide
Role
alias
Source
HERB_v2
Preferred
No
Name
Alphacaine
Role
alias
Source
HERB_v2
Preferred
No
Name
Alphacaine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Duncaine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Duncaine
Role
alias
Source
HERB_v2
Preferred
No
Name
Esracaine
Role
alias
Source
HERB_v2
Preferred
No
Name
Esracaine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lidoderm
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lidoderm
Role
alias
Source
HERB_v2
Preferred
No
Name
Lignocaine
Role
alias
Source
HERB_v2
Preferred
No
Name
Lignocaine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Xylestesin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Xylestesin
Role
alias
Source
HERB_v2
Preferred
No
Name
Xylocaine
Role
alias
Source
HERB_v2
Preferred
No
Name
Xylocaine
Role
alias
Source
itcmdb_public
Preferred
No
Name
lidocaine
Role
alias
Source
HERB_v2
Preferred
No
Name
lidocaine
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
137-58-62-(Diethylamino)-N-(2,6-dimethylphenyl)acetamideAlphacaineDuncaineEsracaineLidodermLignocaineXylestesinXylocainelidocaine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN040264
Tcmid
34991
Sym Map
SMIT26185
Pub Chem
3676
Tcmbank
TCMBANKIN003384
Itcmdb Generated
ITX-INGREDIENT-8BC130953A96
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)
Mol Wt
234.343
Smiles
CCN(CC)CC(=O)NC1=C(C=CC=C1C)C
Mol Log P
2.583740000000001
Version
v2
In Ch Ikey
NNJVILVZKWQKPM-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.849
Num Hacceptors
2
Isomeric Smiles
CCN(CC)CC(=O)NC1=C(C=CC=C1C)C
Canonical Smiles
CCN(CC)CC(=O)NC1=C(C=CC=C1C)C
Herb Alias Names
lidocaine137-58-6LignocaineXylocaine2-(Diethylamino)-N-(2,6-dimethylphenyl)acetamideLidodermDuncaineEsracaineXylestesinAlphacaine
Molecular Formula
C14H22N2O
Molecular Formula
C14H22N2O
Num Rotatable Bonds
5