Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 9Ingredient: 1Meta-analysis: 2Links: 11
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 10540
- Core Entity Id
- 14877
- Source Entity Count
- 1
- Preferred Name
- Alumina
- Name En
- Pubchem Id
- 14769
- Smiles Canonical
- O=[Al]O[Al]=O
- Molecular Formula
- Al2O3
- Molecular Weight
- 101.9610
- Inchikey
- TWNQGVIAIRXVLR-UHFFFAOYSA-N
- Inchi
- InChI=1S/2Al.3O
- Isomeric Smiles
- O=[Al]O[Al]=O
- Cas Id
- Ob Score
- Mol Logp
- -1.0676
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.4170
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Alumina
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Alumina
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Alumina
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Alumina
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
alumina
Role
preferred
Source
TCMBank
Preferred
Yes
Name
12415-34-8
Role
alias
Source
HERB_v2
Preferred
No
Name
12415-34-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
1302-74-5
Role
alias
Source
HERB_v2
Preferred
No
Name
1302-74-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
Aluminum oxide, alpha-phase
Role
alias
Source
HERB_v2
Preferred
No
Name
Aluminum oxide, alpha-phase
Role
alias
Source
itcmdb_public
Preferred
No
Name
Corundum
Role
alias
Source
HERB_v2
Preferred
No
Name
Corundum
Role
alias
Source
itcmdb_public
Preferred
No
Name
Corundum (Al2O3)
Role
alias
Source
HERB_v2
Preferred
No
Name
Corundum (Al2O3)
Role
alias
Source
itcmdb_public
Preferred
No
Name
Electrocorundum
Role
alias
Source
itcmdb_public
Preferred
No
Name
Electrocorundum
Role
alias
Source
HERB_v2
Preferred
No
Name
Emery
Role
alias
Source
itcmdb_public
Preferred
No
Name
Emery
Role
alias
Source
HERB_v2
Preferred
No
Name
Sapphire (Al2O3)
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sapphire (Al2O3)
Role
alias
Source
HERB_v2
Preferred
No
Name
oxo(oxoalumanyloxy)alumane
Role
alias
Source
HERB_v2
Preferred
No
Name
oxo(oxoalumanyloxy)alumane
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
12415-34-81302-74-5Aluminum oxide, alpha-phaseCorundumCorundum (Al2O3)ElectrocorundumEmerySapphire (Al2O3)oxo(oxoalumanyloxy)alumane
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN015791
Tcmid
24505
Sym Map
SMIT22307
Pub Chem
14769
Tcmbank
TCMBANKIN003972
Itcmdb Generated
ITX-INGREDIENT-9D74AB2EAA6C
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/2Al.3O
Mol Wt
101.961
Smiles
O=[Al]O[Al]=O
Mol Log P
-1.0676
Version
v2
In Ch Ikey
TWNQGVIAIRXVLR-UHFFFAOYSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.417
Num Hacceptors
3
Isomeric Smiles
O=[Al]O[Al]=O
Canonical Smiles
O=[Al]O[Al]=O
Herb Alias Names
EmeryCorundum1302-74-5oxo(oxoalumanyloxy)alumaneCorundum (Al2O3)Sapphire (Al2O3)12415-34-8Aluminum oxide, alpha-phaseElectrocorundum
Molecular Weight
101.961 g/mol
Molecular Formula
Al2O3
Molecular Formula
Al2O3
Num Rotatable Bonds
2