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: 1Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14314
- Core Entity Id
- 19077
- Source Entity Count
- 1
- Preferred Name
- Cholinesterase
- Name En
- Pubchem Id
- 4460501
- Smiles Canonical
- C[N+](C)(C)CCOC(=O)OC1=CC2=CC=CC=C2C=C1
- Molecular Formula
- C16H20NO3+
- Molecular Weight
- 274.3400
- Inchikey
- CHDDEZXFDVSAPB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H20NO3/c1-17(2,3)10-11-19-16(18)20-15-9-8-13-6-4-5-7-14(13)12-15/h4-9,12H,10-11H2,1-3H3/q+1
- Isomeric Smiles
- C[N+](C)(C)CCOC(=O)OC1=CC2=CC=CC=C2C=C1
- Cas Id
- Ob Score
- Mol Logp
- 3.0614
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.4880
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cholinesterase
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Cholinesterase
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cholinesterase
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Cholinesterase
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
cholinesterase
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN020408
Tcmid
24521
Sym Map
SMIT22919
Pub Chem
4460501
Tcmbank
TCMBANKIN012380
Itcmdb Generated
ITX-INGREDIENT-938BC0517C02
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H20NO3/c1-17(2,3)10-11-19-16(18)20-15-9-8-13-6-4-5-7-14(13)12-15/h4-9,12H,10-11H2,1-3H3/q+1
Mol Wt
274.34
Smiles
C[N+](C)(C)CCOC(=O)OC1=CC2=CC=CC=C2C=C1
Mol Log P
3.061400000000002
Version
v2
In Ch Ikey
CHDDEZXFDVSAPB-UHFFFAOYSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.488
Num Hacceptors
3
Isomeric Smiles
C[N+](C)(C)CCOC(=O)OC1=CC2=CC=CC=C2C=C1
Canonical Smiles
C[N+](C)(C)CCOC(=O)OC1=CC2=CC=CC=C2C=C1
Molecular Formula
C16H20NO3+
Molecular Formula
C16H20NO3+
Num Rotatable Bonds
4