Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 6Ingredient: 1Meta-analysis: 4Target: 12Links: 22
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 23017
- Core Entity Id
- 28771
- Source Entity Count
- 1
- Preferred Name
- Isosorbide dinitrate
- Name En
- Pubchem Id
- 6883
- Smiles Canonical
- C1C(C2C(O1)C(CO2)O[N+](=O)[O-])O[N+](=O)[O-]
- Molecular Formula
- C6H8N2O8
- Molecular Weight
- 236.1360
- Inchikey
- MOYKHGMNXAOIAT-JGWLITMVSA-N
- Inchi
- InChI=1S/C6H8N2O8/c9-7(10)15-3-1-13-6-4(16-8(11)12)2-14-5(3)6/h3-6H,1-2H2/t3-,4+,5-,6-/m1/s1
- Isomeric Smiles
- C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O[N+](=O)[O-])O[N+](=O)[O-]
- Cas Id
- Ob Score
- Mol Logp
- -1.0622
- Num H Donors
- 0
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.4460
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Isosorbide Dinitrate
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Isosorbide Dinitrate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Isosorbide dinitrate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Isosorbide dinitrate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Isosorbide dinitrate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
87-33-2
Role
alias
Source
HERB_v2
Preferred
No
Name
87-33-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
Carvasin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Carvasin
Role
alias
Source
HERB_v2
Preferred
No
Name
Dilatrate-SR
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dilatrate-SR
Role
alias
Source
HERB_v2
Preferred
No
Name
Dinitrosorbide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dinitrosorbide
Role
alias
Source
HERB_v2
Preferred
No
Name
Isordil
Role
alias
Source
HERB_v2
Preferred
No
Name
Isordil
Role
alias
Source
itcmdb_public
Preferred
No
Name
Nitrosorbide
Role
alias
Source
HERB_v2
Preferred
No
Name
Nitrosorbide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sorbide nitrate
Role
alias
Source
HERB_v2
Preferred
No
Name
Sorbide nitrate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sorbidnitrate
Role
alias
Source
HERB_v2
Preferred
No
Name
Sorbidnitrate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sorbitrate
Role
alias
Source
HERB_v2
Preferred
No
Name
Sorbitrate
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
87-33-2CarvasinDilatrate-SRDinitrosorbideIsordilNitrosorbideSorbide nitrateSorbidnitrateSorbitrate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN031261
Npass
NPC85078
Tcmid
36117
Sym Map
SMIT24762
Pub Chem
6883
Tcmbank
TCMBANKIN026138
Itcmdb Generated
ITX-INGREDIENT-CE0C1E6E6D13
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C6H8N2O8/c9-7(10)15-3-1-13-6-4(16-8(11)12)2-14-5(3)6/h3-6H,1-2H2/t3-,4+,5-,6-/m1/s1
Mol Wt
236.136
Smiles
C1C(C2C(O1)C(CO2)O[N+](=O)[O-])O[N+](=O)[O-]
Mol Log P
-1.0622
Version
v2
In Ch Ikey
MOYKHGMNXAOIAT-JGWLITMVSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.446
Num Hacceptors
8
Isomeric Smiles
C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O[N+](=O)[O-])O[N+](=O)[O-]
Canonical Smiles
C1C(C2C(O1)C(CO2)O[N+](=O)[O-])O[N+](=O)[O-]
Herb Alias Names
SorbidnitrateIsordilSorbide nitrate87-33-2DinitrosorbideSorbitrateDilatrate-SRNitrosorbideCarvasin
Molecular Weight
236.14 g/mol
Molecular Formula
C6H8N2O8
Molecular Formula
C6H8N2O8
Num Rotatable Bonds
4