Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 33117
- Core Entity Id
- 40004
- Source Entity Count
- 1
- Preferred Name
- Seo-wenyujinacid b
- Name En
- Pubchem Id
- 1567
- Smiles Canonical
- C(CS)O
- Molecular Formula
- C2H6OS
- Molecular Weight
- 78.1360
- Inchikey
- DGVVWUTYPXICAM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2
- Isomeric Smiles
- C(CS)O
- Cas Id
- Ob Score
- Mol Logp
- -0.0915
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.4200
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Seo-Wenyujinacid B
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Seo-Wenyujinacid B
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Seo-wenyujinacid b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Seo-wenyujinacid b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
seo-wenyujinacid B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-Hydroxyethanethiol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Hydroxyethanethiol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Sulfanylethanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Sulfanylethanol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Thioethanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Thioethanol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-mercaptoethanol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-mercaptoethanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
60-24-2
Role
alias
Source
HERB_v2
Preferred
No
Name
60-24-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
Beta-Mercaptoethanol
Role
alias
Source
HERB_v2
Preferred
No
Name
Beta-Mercaptoethanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethanol, 2-mercapto-
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethanol, 2-mercapto-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Mercaptoethanol
Role
alias
Source
HERB_v2
Preferred
No
Name
Mercaptoethanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Thioethylene glycol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Thioethylene glycol
Role
alias
Source
HERB_v2
Preferred
No
Name
Thioglycol
Role
alias
Source
HERB_v2
Preferred
No
Name
Thioglycol
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-Hydroxyethanethiol2-Sulfanylethanol2-Thioethanol2-mercaptoethanol60-24-2Beta-MercaptoethanolEthanol, 2-mercapto-MercaptoethanolThioethylene glycolThioglycol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN043763
Npass
NPC85721
Tcmid
37878
Sym Map
SMIT26766
Pub Chem
1567
Tcmbank
TCMBANKIN014187
Itcmdb Generated
ITX-INGREDIENT-F40F8E516221
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2
Mol Wt
78.136
Smiles
C(CS)O
Mol Log P
-0.09149999999999997
Version
v2
In Ch Ikey
DGVVWUTYPXICAM-UHFFFAOYSA-N
Suppress
0
Num Hdonors
2
Drug Likeness
0.42
Num Hacceptors
2
Isomeric Smiles
C(CS)O
Canonical Smiles
C(CS)O
Herb Alias Names
2-mercaptoethanolMercaptoethanol60-24-2Beta-MercaptoethanolThioglycol2-SulfanylethanolEthanol, 2-mercapto-2-ThioethanolThioethylene glycol2-Hydroxyethanethiol
Molecular Formula
C2H6OS or HSCH2CH2OH
Molecular Formula
C2H6OS
Num Rotatable Bonds
1