Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 12Links: 24
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 31654
- Core Entity Id
- 38372
- Source Entity Count
- 1
- Preferred Name
- Realgar
- Name En
- Pubchem Id
- 3033858
- Smiles Canonical
- S[As]
- Molecular Formula
- AsHS
- Molecular Weight
- 107.9970
- Inchikey
- VITRXACYEKZEKO-UHFFFAOYSA-N
- Inchi
- InChI=1S/AsHS/c1-2/h2H
- Isomeric Smiles
- S[As]
- Cas Id
- 12044-30-3
- Ob Score
- Mol Logp
- -0.0003
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.3270
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Realgar
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Realgar
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Realgar
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Realgar
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
realgar
Role
preferred
Source
TCMBank
Preferred
Yes
Name
thioarsinous acid
Role
alias
Source
HERB_v2
Preferred
No
Name
thioarsinous acid
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
thioarsinous acid
Cross References
Trusted external identifiers retained for this final record.
Cas
12044-30-3
Herb
HBIN041980
Tcmid
23132
Sym Map
SMIT26446
Tcm Id
1355
Pub Chem
30338586328537
Tcmbank
TCMBANKIN004686
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/AsHS/c1-2/h2H
Mol Wt
107.997
Cas Id
12044-30-3
Smiles
S[As]
Mol Log P
-0.0003000000000000225
Version
v2
In Ch Ikey
VITRXACYEKZEKO-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.327
Num Hacceptors
1
Isomeric Smiles
S[As]
Canonical Smiles
S[As]
Herb Alias Names
thioarsinous acid
Molecular Weight
0
Molecular Formula
AsHS
Molecular Formula
AsHS
Num Rotatable Bonds
0