Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 36431
- Core Entity Id
- 43688
- Source Entity Count
- 1
- Preferred Name
- Viburnitol
- Name En
- Pubchem Id
- 11321141
- Smiles Canonical
- C1C(C(C(C(C1O)O)O)O)O
- Molecular Formula
- C6H12O5
- Molecular Weight
- 164.1570
- Inchikey
- IMPKVMRTXBRHRB-RSVSWTKNSA-N
- Inchi
- InChI=1S/C6H12O5/c7-2-1-3(8)5(10)6(11)4(2)9/h2-11H,1H2/t2-,3-,4-,5+,6?/m1/s1
- Isomeric Smiles
- C1[C@H]([C@H](C([C@H]([C@@H]1O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -2.8054
- Num H Donors
- 5
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.2660
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Viburnitol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Viburnitol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Viburnitol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
viburnitol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(-)-Viburnitol
Role
alias
Source
HERB_v2
Preferred
No
Name
(-)-Viburnitol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1R,2R,4S,5R)-cyclohexane-1,2,3,4,5-pentol
Role
alias
Source
HERB_v2
Preferred
No
Name
(1R,2R,4S,5R)-cyclohexane-1,2,3,4,5-pentol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1R,2S,4R,5R)-cyclohexane-1,2,3,4,5-pentol
Role
alias
Source
HERB_v2
Preferred
No
Name
(1R,2S,4R,5R)-cyclohexane-1,2,3,4,5-pentol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-D-3-deoxy-myo-inositol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-D-3-deoxy-myo-inositol
Role
alias
Source
HERB_v2
Preferred
No
Name
488-76-6
Role
alias
Source
HERB_v2
Preferred
No
Name
488-76-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:37600
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:37600
Role
alias
Source
HERB_v2
Preferred
No
Name
D-1-deoxy-myo-inositol
Role
alias
Source
HERB_v2
Preferred
No
Name
D-1-deoxy-myo-inositol
Role
alias
Source
itcmdb_public
Preferred
No
Name
vibo-Quercitol
Role
alias
Source
HERB_v2
Preferred
No
Name
vibo-Quercitol
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-Viburnitol(1R,2R,4S,5R)-cyclohexane-1,2,3,4,5-pentol(1R,2S,4R,5R)-cyclohexane-1,2,3,4,5-pentol1-D-3-deoxy-myo-inositol488-76-6CHEBI:37600D-1-deoxy-myo-inositolvibo-Quercitol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN047901
Tcmid
22445
Pub Chem
11321141441438
Tcmbank
TCMBANKIN025455
Etcm Ingredient
Viburnitol
Itcmdb Generated
ITX-INGREDIENT-5A2DFED114EE
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C6H12O5/c7-2-1-3(8)5(10)6(11)4(2)9/h2-11H,1H2/t2-,3-,4-,5+,6?/m1/s1
Mol Wt
164.157
Smiles
C1C(C(C(C(C1O)O)O)O)O
Mol Log P
-2.805399999999999
In Ch Ikey
IMPKVMRTXBRHRB-RSVSWTKNSA-N
Num Hdonors
5
Drug Likeness
0.266
Num Hacceptors
5
Isomeric Smiles
C1[C@H]([C@H](C([C@H]([C@@H]1O)O)O)O)O
Canonical Smiles
C1C(C(C(C(C1O)O)O)O)O
Herb Alias Names
488-76-6vibo-Quercitol(-)-Viburnitol(-)-vibo-Quercitol(1R,2S,4R,5R)-cyclohexane-1,2,3,4,5-pentol1-D-3-deoxy-myo-inositolCHEBI:37600D-1-deoxy-myo-inositol(1R,2R,4S,5R)-cyclohexane-1,2,3,4,5-pentol
Molecular Weight
164.070
Molecular Weight
164.16 g/mol
Molecular Formula
C6H12O5
Molecular Formula
C6H12O5
Molecular Formula
C6H12O5
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.006
Quantitative Estimate Of Drug Likeness（Qed）
0.266