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
- 13860
- Core Entity Id
- 18574
- Source Entity Count
- 1
- Preferred Name
- Caso4·2h2o
- Name En
- Pubchem Id
- 24928
- Smiles Canonical
- O.O.[O-]S(=O)(=O)[O-].[Ca+2]
- Molecular Formula
- CaH4O6S
- Molecular Weight
- 172.1710
- Inchikey
- PASHVRUKOFIRIK-UHFFFAOYSA-L
- Inchi
- InChI=1S/Ca.H2O4S.2H2O/c;1-5(2,3)4;;/h;(H2,1,2,3,4);2*1H2/q+2;;;/p-2
- Isomeric Smiles
- O.O.[O-]S(=O)(=O)[O-].[Ca+2]
- Cas Id
- Ob Score
- Mol Logp
- -3.3682
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.2130
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Caso4·2H2O
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Caso4-2h2o
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Caso4-2h2o
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Caso4·2H2O
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
caso4-2h2o
Role
preferred
Source
TCMBank
Preferred
Yes
Name
10101-41-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
10101-41-4
Role
alias
Source
HERB_v2
Preferred
No
Name
Annaline
Role
alias
Source
itcmdb_public
Preferred
No
Name
Annaline
Role
alias
Source
HERB_v2
Preferred
No
Name
Calcium sulfate dihydrate
Role
alias
Source
HERB_v2
Preferred
No
Name
Calcium sulfate dihydrate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Compactrol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Compactrol
Role
alias
Source
HERB_v2
Preferred
No
Name
Landplaster
Role
alias
Source
itcmdb_public
Preferred
No
Name
Landplaster
Role
alias
Source
HERB_v2
Preferred
No
Name
Light spar
Role
alias
Source
itcmdb_public
Preferred
No
Name
Light spar
Role
alias
Source
HERB_v2
Preferred
No
Name
Mineral White
Role
alias
Source
itcmdb_public
Preferred
No
Name
Mineral White
Role
alias
Source
HERB_v2
Preferred
No
Name
Phosphogypsum
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phosphogypsum
Role
alias
Source
HERB_v2
Preferred
No
Name
Satin spar
Role
alias
Source
HERB_v2
Preferred
No
Name
Satin spar
Role
alias
Source
itcmdb_public
Preferred
No
Name
Satinite
Role
alias
Source
HERB_v2
Preferred
No
Name
Satinite
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Caso4-2h2o10101-41-4AnnalineCalcium sulfate dihydrateCompactrolLandplasterLight sparMineral WhitePhosphogypsumSatin sparSatinite
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN019864HBIN019865
Tcmid
23896
Sym Map
SMIT22841
Tcm Id
21814
Pub Chem
24928
Tcmbank
TCMBANKIN013592TCMBANKIN017992
Itcmdb Generated
ITX-INGREDIENT-E64D33A52FE0
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/Ca.H2O4S.2H2O/c;1-5(2,3)4;;/h;(H2,1,2,3,4);2*1H2/q+2;;;/p-2
Mol Wt
172.171
Smiles
O.O.[O-]S(=O)(=O)[O-].[Ca+2]
Mol Log P
-3.3682
Version
v2
In Ch Ikey
PASHVRUKOFIRIK-UHFFFAOYSA-L
Suppress
0
Num Hdonors
0
Drug Likeness
0.213
Num Hacceptors
4
Isomeric Smiles
O.O.[O-]S(=O)(=O)[O-].[Ca+2]
Canonical Smiles
O.O.[O-]S(=O)(=O)[O-].[Ca+2]
Herb Alias Names
Calcium sulfate dihydrate10101-41-4PhosphogypsumSatiniteLight sparMineral WhiteSatin sparAnnalineCompactrolLandplaster
Molecular Weight
0
Molecular Formula
CaSO4. 2H2O or CaSO4 . 2H2O or CaH4O6S
Molecular Formula
CaH4O6S
Num Rotatable Bonds
0