Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Meta-analysis: 12Links: 24
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 13422
- Core Entity Id
- 18088
- Source Entity Count
- 1
- Preferred Name
- Calcium
- Name En
- Pubchem Id
- 5460341
- Smiles Canonical
- [Ca]
- Molecular Formula
- Ca
- Molecular Weight
- 40.0780
- Inchikey
- OYPRJOBELJOOCE-UHFFFAOYSA-N
- Inchi
- InChI=1S/Ca
- Isomeric Smiles
- [Ca]
- Cas Id
- Ob Score
- Mol Logp
- -0.3808
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.3230
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Calcium
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Calcium
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Calcium
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Calcium
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
calcium
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
calcium
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7440-70-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
7440-70-2
Role
alias
Source
HERB_v2
Preferred
No
Name
Ca
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ca
Role
alias
Source
HERB_v2
Preferred
No
Name
Calcium, elemental
Role
alias
Source
itcmdb_public
Preferred
No
Name
Calcium, elemental
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 231-179-5
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 231-179-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
Elemental calcium
Role
alias
Source
HERB_v2
Preferred
No
Name
Elemental calcium
Role
alias
Source
itcmdb_public
Preferred
No
Name
HSDB 273
Role
alias
Source
HERB_v2
Preferred
No
Name
HSDB 273
Role
alias
Source
itcmdb_public
Preferred
No
Name
Kalzium
Role
alias
Source
itcmdb_public
Preferred
No
Name
Kalzium
Role
alias
Source
HERB_v2
Preferred
No
Name
SY7Q814VUP
Role
alias
Source
HERB_v2
Preferred
No
Name
SY7Q814VUP
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-SY7Q814VUP
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-SY7Q814VUP
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
7440-70-2CaCalcium, elementalEINECS 231-179-5Elemental calciumHSDB 273KalziumSY7Q814VUPUNII-SY7Q814VUP
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN019351
Tcmid
23626
Sym Map
SMIT22783
Pub Chem
5460341
Tcmbank
TCMBANKIN025863
Etcm Ingredient
calcium
Itcmdb Generated
ITX-INGREDIENT-4D97706DADC4ITX-INGREDIENT-D5518DCE5847
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/Ca
Mol Wt
40.078
Smiles
[Ca]
Mol Log P
-0.3808
Version
v2
In Ch Ikey
OYPRJOBELJOOCE-UHFFFAOYSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.323
Num Hacceptors
0
Isomeric Smiles
[Ca]
Canonical Smiles
[Ca]
Herb Alias Names
7440-70-2CaElemental calciumCalcium, elementalHSDB 273UNII-SY7Q814VUPSY7Q814VUPEINECS 231-179-5Kalzium
Molecular Weight
41.980
Molecular Weight
40.08 g/mol
Molecular Formula
H2Ca
Molecular Formula
Ca
Molecular Formula
Ca
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.000
Quantitative Estimate Of Drug Likeness（Qed）
0.000