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
- 21825
- Core Entity Id
- 27445
- Source Entity Count
- 1
- Preferred Name
- Hydrozincite
- Name En
- Pubchem Id
- 11955398
- Smiles Canonical
- C(=O)([O-])[O-].C(=O)([O-])[O-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2]
- Molecular Formula
- C2H6O12Zn5
- Molecular Weight
- 549.0080
- Inchikey
- UOURRHZRLGCVDA-UHFFFAOYSA-D
- Inchi
- InChI=1S/2CH2O3.6H2O.5Zn/c2*2-1(3)4;;;;;;;;;;;/h2*(H2,2,3,4);6*1H2;;;;;/q;;;;;;;;5*+2/p-10
- Isomeric Smiles
- C(=O)([O-])[O-].C(=O)([O-])[O-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2]
- Cas Id
- Ob Score
- Mol Logp
- -5.9673
- Num H Donors
- 0
- Num H Acceptors
- 12
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.2550
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Hydrozincite
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Hydrozincite
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Hydrozincite
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Hydrozincite
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Hydrozincite
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
12122-17-7
Role
alias
Source
HERB_v2
Preferred
No
Name
12122-17-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
Basic zinc carbonate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Basic zinc carbonate
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 235-179-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 235-179-6
Role
alias
Source
HERB_v2
Preferred
No
Name
EQR32Y7H0M
Role
alias
Source
itcmdb_public
Preferred
No
Name
EQR32Y7H0M
Role
alias
Source
HERB_v2
Preferred
No
Name
Hydrozincite (Zn5(CO3)2(OH)6)
Role
alias
Source
HERB_v2
Preferred
No
Name
Hydrozincite (Zn5(CO3)2(OH)6)
Role
alias
Source
itcmdb_public
Preferred
No
Name
Zinc carbonate, basic
Role
alias
Source
HERB_v2
Preferred
No
Name
Zinc carbonate, basic
Role
alias
Source
itcmdb_public
Preferred
No
Name
Zinc subcarbonate
Role
alias
Source
HERB_v2
Preferred
No
Name
Zinc subcarbonate
Role
alias
Source
itcmdb_public
Preferred
No
Name
dicarbonate
Role
alias
Source
itcmdb_public
Preferred
No
Name
dicarbonate
Role
alias
Source
HERB_v2
Preferred
No
Name
hexahydroxide
Role
alias
Source
HERB_v2
Preferred
No
Name
hexahydroxide
Role
alias
Source
itcmdb_public
Preferred
No
Name
pentazinc
Role
alias
Source
HERB_v2
Preferred
No
Name
pentazinc
Role
alias
Source
itcmdb_public
Preferred
No
Name
zinconine
Role
alias
Source
itcmdb_public
Preferred
No
Name
zinconine
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
12122-17-7Basic zinc carbonateEINECS 235-179-6EQR32Y7H0MHydrozincite (Zn5(CO3)2(OH)6)Zinc carbonate, basicZinc subcarbonatedicarbonatehexahydroxidepentazinczinconine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN029774
Tcmid
37299
Sym Map
SMIT24554
Pub Chem
11955398
Tcmbank
TCMBANKIN022430
Itcmdb Generated
ITX-INGREDIENT-FFFFB8850303
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/2CH2O3.6H2O.5Zn/c2*2-1(3)4;;;;;;;;;;;/h2*(H2,2,3,4);6*1H2;;;;;/q;;;;;;;;5*+2/p-10
Mol Wt
549.008
Smiles
C(=O)([O-])[O-].C(=O)([O-])[O-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2]
Mol Log P
-5.967300000000002
Version
v2
In Ch Ikey
UOURRHZRLGCVDA-UHFFFAOYSA-D
Suppress
0
Num Hdonors
0
Drug Likeness
0.255
Num Hacceptors
12
Isomeric Smiles
C(=O)([O-])[O-].C(=O)([O-])[O-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2]
Canonical Smiles
C(=O)([O-])[O-].C(=O)([O-])[O-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2]
Herb Alias Names
Zinc carbonate, basicZinc subcarbonateBasic zinc carbonate12122-17-7pentazincdicarbonatehexahydroxideEQR32Y7H0MEINECS 235-179-6Hydrozincite (Zn5(CO3)2(OH)6)zinconine
Molecular Formula
C2H6O12Zn5
Molecular Formula
C2H6O12Zn5
Num Rotatable Bonds
0