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: 7Target: 3Links: 16
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 23016
- Core Entity Id
- 28770
- Source Entity Count
- 1
- Preferred Name
- Isosorbide
- Name En
- Pubchem Id
- 12597
- Smiles Canonical
- C1C(C2C(O1)C(CO2)O)O
- Molecular Formula
- C6H10O4
- Molecular Weight
- 146.1420
- Inchikey
- KLDXJTOLSGUMSJ-JGWLITMVSA-N
- Inchi
- InChI=1S/C6H10O4/c7-3-1-9-6-4(8)2-10-5(3)6/h3-8H,1-2H2/t3-,4+,5-,6-/m1/s1
- Isomeric Smiles
- C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O)O
- Cas Id
- Ob Score
- Mol Logp
- -1.4942
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4370
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Isosorbide
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Isosorbide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Isosorbide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Isosorbide
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Isosorbide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
isosorbide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(+)-D-Isosorbide
Role
alias
Source
HERB_v2
Preferred
No
Name
(+)-D-Isosorbide
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3R,3aR,6S,6aR)-hexahydrofuro[3,2-b]furan-3,6-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
(3R,3aR,6S,6aR)-hexahydrofuro[3,2-b]furan-3,6-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,4:3,6-Dianhydro-D-glucitol
Role
alias
Source
HERB_v2
Preferred
No
Name
1,4:3,6-Dianhydro-D-glucitol
Role
alias
Source
itcmdb_public
Preferred
No
Name
652-67-5
Role
alias
Source
HERB_v2
Preferred
No
Name
652-67-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
Devicoran
Role
alias
Source
itcmdb_public
Preferred
No
Name
Devicoran
Role
alias
Source
HERB_v2
Preferred
No
Name
Hydronol
Role
alias
Source
HERB_v2
Preferred
No
Name
Hydronol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ismotic
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ismotic
Role
alias
Source
HERB_v2
Preferred
No
Name
Isobide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Isobide
Role
alias
Source
HERB_v2
Preferred
No
Name
Sorbid
Role
alias
Source
HERB_v2
Preferred
No
Name
Sorbid
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+)-D-Isosorbide(3R,3aR,6S,6aR)-hexahydrofuro[3,2-b]furan-3,6-diol1,4:3,6-Dianhydro-D-glucitol652-67-5DevicoranHydronolIsmoticIsobideSorbid
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN031260
Tcmid
32937
Sym Map
SMIT24761
Pub Chem
12597
Tcmbank
TCMBANKIN032517
Etcm Ingredient
isosorbide
Itcmdb Generated
ITX-INGREDIENT-A88776A55EE5ITX-INGREDIENT-F29AA78D684D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C6H10O4/c7-3-1-9-6-4(8)2-10-5(3)6/h3-8H,1-2H2/t3-,4+,5-,6-/m1/s1
Mol Wt
146.142
Smiles
C1C(C2C(O1)C(CO2)O)O
Mol Log P
-1.4942
Version
v2
In Ch Ikey
KLDXJTOLSGUMSJ-JGWLITMVSA-N
Suppress
0
Num Hdonors
2
Drug Likeness
0.437
Num Hacceptors
4
Isomeric Smiles
C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O)O
Canonical Smiles
C1C(C2C(O1)C(CO2)O)O
Herb Alias Names
652-67-5IsobideIsmoticDevicoranHydronolSorbid(3R,3aR,6S,6aR)-hexahydrofuro[3,2-b]furan-3,6-diol(+)-D-Isosorbide1,4:3,6-Dianhydro-D-glucitol
Molecular Weight
146.060
Molecular Weight
146.14 g/mol
Molecular Formula
C6H10O4
Molecular Formula
C6H10O4
Molecular Formula
C6H10O4
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.058
Quantitative Estimate Of Drug Likeness（Qed）
0.437