Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 13403
- Core Entity Id
- 18066
- Source Entity Count
- 1
- Preferred Name
- Calamine
- Name En
- Pubchem Id
- 23083748
- Smiles Canonical
- [O-2].[O-2].[O-2].[O-2].[Fe+3].[Fe+3].[Zn+2]
- Molecular Formula
- Fe2O4Zn
- Molecular Weight
- 241.0760
- Inchikey
- CPYIZQLXMGRKSW-UHFFFAOYSA-N
- Inchi
- InChI=1S/2Fe.4O.Zn/q2*+3;4*-2;+2
- Isomeric Smiles
- [O-2].[O-2].[O-2].[O-2].[Fe+3].[Fe+3].[Zn+2]
- Cas Id
- Ob Score
- Mol Logp
- -0.4827
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5090
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Calamine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Calamine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Calamine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Calamine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Calamine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
8011-96-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
8011-96-9
Role
alias
Source
HERB_v2
Preferred
No
Name
Caladryl
Role
alias
Source
HERB_v2
Preferred
No
Name
Caladryl
Role
alias
Source
itcmdb_public
Preferred
No
Name
Calamine [USP:JAN]
Role
alias
Source
HERB_v2
Preferred
No
Name
Calamine [USP:JAN]
Role
alias
Source
itcmdb_public
Preferred
No
Name
Calamine lotion
Role
alias
Source
HERB_v2
Preferred
No
Name
Calamine lotion
Role
alias
Source
itcmdb_public
Preferred
No
Name
Medipack
Role
alias
Source
itcmdb_public
Preferred
No
Name
Medipack
Role
alias
Source
HERB_v2
Preferred
No
Name
Primer
Role
alias
Source
HERB_v2
Preferred
No
Name
Primer
Role
alias
Source
itcmdb_public
Preferred
No
Name
Reliamed
Role
alias
Source
HERB_v2
Preferred
No
Name
Reliamed
Role
alias
Source
itcmdb_public
Preferred
No
Name
Repara
Role
alias
Source
HERB_v2
Preferred
No
Name
Repara
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tenderwrap
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tenderwrap
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
8011-96-9CaladrylCalamine [USP:JAN]Calamine lotionMedipackPrimerReliamedReparaTenderwrap
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN019330
Tcmid
32869
Sym Map
SMIT22781
Pub Chem
23083748
Tcmbank
TCMBANKIN014252
Itcmdb Generated
ITX-INGREDIENT-BB62E10F009D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/2Fe.4O.Zn/q2*+3;4*-2;+2
Mol Wt
241.076
Smiles
[O-2].[O-2].[O-2].[O-2].[Fe+3].[Fe+3].[Zn+2]
Mol Log P
-0.4827
Version
v2
In Ch Ikey
CPYIZQLXMGRKSW-UHFFFAOYSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.509
Num Hacceptors
0
Isomeric Smiles
[O-2].[O-2].[O-2].[O-2].[Fe+3].[Fe+3].[Zn+2]
Canonical Smiles
[O-2].[O-2].[O-2].[O-2].[Fe+3].[Fe+3].[Zn+2]
Herb Alias Names
8011-96-9Calamine lotionTenderwrapCaladrylCalamine [USP:JAN]MedipackReliamedPrimerRepara
Molecular Weight
241.1 g/mol
Molecular Formula
Fe2O4Zn
Molecular Formula
Fe2O4Zn
Num Rotatable Bonds
0