Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 11578
- Core Entity Id
- 16036
- Source Entity Count
- 1
- Preferred Name
- As2s3
- Name En
- Pubchem Id
- 6337004
- Smiles Canonical
- S.S.S.[As].[As]
- Molecular Formula
- As2H6S3
- Molecular Weight
- 252.0930
- Inchikey
- JTEISIQYUPOOLG-UHFFFAOYSA-N
- Inchi
- InChI=1S/2As.3H2S/h;;3*1H2
- Isomeric Smiles
- S.S.S.[As].[As]
- Cas Id
- Ob Score
- Mol Logp
- -0.4232
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5130
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
As2S3
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
As2S3
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
As2s3
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
As2s3
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
as2s3
Role
preferred
Source
TCMBank
Preferred
Yes
Name
12255-89-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
12255-89-9
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID40153640
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID40153640
Role
alias
Source
HERB_v2
Preferred
No
Name
Orpiment (As2S3)
Role
alias
Source
HERB_v2
Preferred
No
Name
Orpiment (As2S3)
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
12255-89-9DTXSID40153640Orpiment (As2S3)
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN017022
Tcmid
23343
Sym Map
SMIT22433
Tcm Id
6597
Pub Chem
6337004
Tcmbank
TCMBANKIN026700
Itcmdb Generated
ITX-INGREDIENT-A9DC12164203
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/2As.3H2S/h;;3*1H2
Mol Wt
252.093
Smiles
S.S.S.[As].[As]
Mol Log P
-0.4232000000000002
Version
v2
In Ch Ikey
JTEISIQYUPOOLG-UHFFFAOYSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.513
Num Hacceptors
0
Isomeric Smiles
S.S.S.[As].[As]
Canonical Smiles
S.S.S.[As].[As]
Herb Alias Names
12255-89-9Orpiment (As2S3)DTXSID40153640
Molecular Weight
0
Molecular Formula
As2H6S3
Molecular Formula
As2H6S3
Num Rotatable Bonds
0