Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 12Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 37242
- Core Entity Id
- 44601
- Source Entity Count
- 1
- Preferred Name
- Zincpolyanemine
- Name En
- Pubchem Id
- 26041
- Smiles Canonical
- C1=CC=[N+](C(=C1)[S-])[O-].C1=CC=[N+](C(=C1)[S-])[O-].[Zn+2]
- Molecular Formula
- C10H8N2O2S2Zn
- Molecular Weight
- 317.7100
- Inchikey
- OTPSWLRZXRHDNX-UHFFFAOYSA-L
- Inchi
- InChI=1S/2C5H5NOS.Zn/c2*7-6-4-2-1-3-5(6)8;/h2*1-4,8H;/q;;+2/p-2
- Isomeric Smiles
- C1=CC=[N+](C(=C1)[S-])[O-].C1=CC=[N+](C(=C1)[S-])[O-].[Zn+2]
- Cas Id
- 13463-41-7
- Ob Score
- Mol Logp
- 0.4491
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.3060
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Zincpolyanemine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Zincpolyanemine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Zincpolyanemine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Zincpolyanemine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
LING SHY AN LUO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
1-oxidopyridin-1-ium-2-thiolate
Role
alias
Source
HERB_v2
Preferred
No
Name
1-oxidopyridin-1-ium-2-thiolate
Role
alias
Source
itcmdb_public
Preferred
No
Name
13463-41-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
13463-41-7
Role
alias
Source
HERB_v2
Preferred
No
Name
Bis((1-oxidopyridin-2-yl)thio)zinc
Role
alias
Source
itcmdb_public
Preferred
No
Name
Bis((1-oxidopyridin-2-yl)thio)zinc
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXCID90820451
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID90820451
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID7026314
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID7026314
Role
alias
Source
itcmdb_public
Preferred
No
Name
NCGC00091933-01
Role
alias
Source
HERB_v2
Preferred
No
Name
NCGC00091933-01
Role
alias
Source
itcmdb_public
Preferred
No
Name
NCGC00183121-01
Role
alias
Source
itcmdb_public
Preferred
No
Name
NCGC00183121-01
Role
alias
Source
HERB_v2
Preferred
No
Name
Zinc pt
Role
alias
Source
itcmdb_public
Preferred
No
Name
Zinc pt
Role
alias
Source
HERB_v2
Preferred
No
Name
Zinc pyrithione
Role
alias
Source
HERB_v2
Preferred
No
Name
Zinc pyrithione
Role
alias
Source
itcmdb_public
Preferred
No
Name
Zinci pyrithionum
Role
alias
Source
itcmdb_public
Preferred
No
Name
Zinci pyrithionum
Role
alias
Source
HERB_v2
Preferred
No
Name
zinc
Role
alias
Source
HERB_v2
Preferred
No
Name
zinc
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
LING SHY AN LUO1-oxidopyridin-1-ium-2-thiolate13463-41-7Bis((1-oxidopyridin-2-yl)thio)zincDTXCID90820451DTXSID7026314NCGC00091933-01NCGC00183121-01Zinc ptZinc pyrithioneZinci pyrithionumzinc
Cross References
Trusted external identifiers retained for this final record.
Cas
13463-41-7
Herb
HBIN048988
Tcmid
22986
Tcm Id
32
Pub Chem
26041
Tcmbank
TCMBANKIN050200
Etcm Ingredient
Zincpolyanemine
Itcmdb Generated
ITX-INGREDIENT-8AE42A4684EC
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/2C5H5NOS.Zn/c2*7-6-4-2-1-3-5(6)8;/h2*1-4,8H;/q;;+2/p-2
Mol Wt
317.71
Cas Id
13463-41-7
Mol Log P
0.4491000000000001
In Ch Ikey
OTPSWLRZXRHDNX-UHFFFAOYSA-L
Tcm Name2
LING SHY AN LUO
Mol2 Path
/TCM_database/2007_3d_all/23002.mol2
Reference
658, 1271
Num Hdonors
0
Drug Likeness
0.306
Num Hacceptors
4
Isomeric Smiles
C1=CC=[N+](C(=C1)[S-])[O-].C1=CC=[N+](C(=C1)[S-])[O-].[Zn+2]
Canonical Smiles
C1=CC=[N+](C(=C1)[S-])[O-].C1=CC=[N+](C(=C1)[S-])[O-].[Zn+2]
Herb Alias Names
Zinc pyrithione13463-41-7DTXSID7026314DTXCID90820451Bis((1-oxidopyridin-2-yl)thio)zinczinc1-oxidopyridin-1-ium-2-thiolateNCGC00091933-01NCGC00183121-01Zinc ptZinci pyrithionum
Molecular Weight
315.930
Molecular Weight
317.7 g/mol
Molecular Formula
C10H8N2O2S2Zn
Molecular Formula
C10H8N2O2S2Zn
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.059
Quantitative Estimate Of Drug Likeness（Qed）
0.493