IngredientID 13430

Calcium silicate

Ca2O4Si

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Herb: 1Ingredient: 1Meta-analysis: 12Links: 13
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
13430
Core Entity Id
18097
Source Entity Count
1
Preferred Name
Calcium silicate
Name En
Pubchem Id
14941
Smiles Canonical
O=[Si]=O.O=[Ca]
Molecular Formula
Ca2O4Si
Molecular Weight
172.2380
Inchikey
JHLNERQLKQQLRZ-UHFFFAOYSA-N
Inchi
InChI=1S/2Ca.O4Si/c;;1-5(2,3)4/q2*+2;-4
Isomeric Smiles
[O-][Si]([O-])([O-])[O-].[Ca+2].[Ca+2]
Cas Id
Ob Score
Mol Logp
-5.8984
Num H Donors
0
Num H Acceptors
4
Num Rotatable Bonds
0
Drug Likeness
0.3400
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
Calcium silicate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Calcium silicate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
calcium silicate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1344-95-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
1344-95-2
Role
alias
Source
HERB_v2
Preferred
No
Name
CS lafarge
Role
alias
Source
itcmdb_public
Preferred
No
Name
CS lafarge
Role
alias
Source
HERB_v2
Preferred
No
Name
Calcium hydrosilicate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Calcium hydrosilicate
Role
alias
Source
HERB_v2
Preferred
No
Name
Calsil
Role
alias
Source
itcmdb_public
Preferred
No
Name
Calsil
Role
alias
Source
HERB_v2
Preferred
No
Name
Dicalcium silicate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dicalcium silicate
Role
alias
Source
HERB_v2
Preferred
No
Name
Florite R
Role
alias
Source
itcmdb_public
Preferred
No
Name
Florite R
Role
alias
Source
HERB_v2
Preferred
No
Name
Micro-cel
Role
alias
Source
itcmdb_public
Preferred
No
Name
Micro-cel
Role
alias
Source
HERB_v2
Preferred
No
Name
Microcal ET
Role
alias
Source
itcmdb_public
Preferred
No
Name
Microcal ET
Role
alias
Source
HERB_v2
Preferred
No
Name
Silicic acid, calcium salt
Role
alias
Source
HERB_v2
Preferred
No
Name
Silicic acid, calcium salt
Role
alias
Source
itcmdb_public
Preferred
No
Name
Toyofine A
Role
alias
Source
HERB_v2
Preferred
No
Name
Toyofine A
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

1344-95-2CS lafargeCalcium hydrosilicateCalsilDicalcium silicateFlorite RMicro-celMicrocal ETSilicic acid, calcium saltToyofine A

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN019360
Tcmid
24905
Pub Chem
14941
Tcmbank
TCMBANKIN033603

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/2Ca.O4Si/c;;1-5(2,3)4/q2*+2;-4
Mol Wt
172.238
Smiles
O=[Si]=O.O=[Ca]
Mol Log P
-5.8984
In Ch Ikey
JHLNERQLKQQLRZ-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.34
Num Hacceptors
4
Isomeric Smiles
[O-][Si]([O-])([O-])[O-].[Ca+2].[Ca+2]
Canonical Smiles
[O-][Si]([O-])([O-])[O-].[Ca+2].[Ca+2]
Herb Alias Names
Silicic acid, calcium salt1344-95-2Dicalcium silicateCalsilMicro-celCalcium hydrosilicateCS lafargeToyofine AFlorite RMicrocal ET
Molecular Formula
CaO3Si
Molecular Formula
Ca2O4Si
Num Rotatable Bonds
0