Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 55
- Core Entity Id
- 573
- Source Entity Count
- 1
- Preferred Name
- 2,1-benzisoxazole
- Name En
- Pubchem Id
- 67498
- Smiles Canonical
- C1=CC2=CON=C2C=C1
- Molecular Formula
- C7H5NO
- Molecular Weight
- 119.1230
- Inchikey
- FZKCAHQKNJXICB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C7H5NO/c1-2-4-7-6(3-1)5-9-8-7/h1-5H
- Isomeric Smiles
- C1=CC2=CON=C2C=C1
- Cas Id
- Ob Score
- Mol Logp
- 1.8278
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5280
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,1-Benzisoxazole
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2,1-Benzisoxazole
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2,1-benzisoxazole
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,1-benzisoxazole
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,1-benzisoxazole
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2,1-benzoxazole
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,1-benzoxazole
Role
alias
Source
HERB_v2
Preferred
No
Name
271-58-9
Role
alias
Source
HERB_v2
Preferred
No
Name
271-58-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
58GQ20G9W6
Role
alias
Source
HERB_v2
Preferred
No
Name
58GQ20G9W6
Role
alias
Source
itcmdb_public
Preferred
No
Name
Anthranil
Role
alias
Source
HERB_v2
Preferred
No
Name
Anthranil
Role
alias
Source
itcmdb_public
Preferred
No
Name
BENZO[C]ISOXAZOLE
Role
alias
Source
HERB_v2
Preferred
No
Name
BENZO[C]ISOXAZOLE
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benz(c)isoxazole
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benz(c)isoxazole
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:51555
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:51555
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00005806
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00005806
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC99331
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC99331
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2,1-benzoxazole271-58-958GQ20G9W6AnthranilBENZO[C]ISOXAZOLEBenz(c)isoxazoleCHEBI:51555MFCD00005806NSC99331
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN003550
Tcmid
40625
Sym Map
SMIT20466
Pub Chem
67498
Tcmbank
TCMBANKIN034393
Itcmdb Generated
ITX-INGREDIENT-B8C5ACDF3132
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C7H5NO/c1-2-4-7-6(3-1)5-9-8-7/h1-5H
Mol Wt
119.123
Smiles
C1=CC2=CON=C2C=C1
Mol Log P
1.8278
Version
v2
In Ch Ikey
FZKCAHQKNJXICB-UHFFFAOYSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.528
Num Hacceptors
2
Isomeric Smiles
C1=CC2=CON=C2C=C1
Canonical Smiles
C1=CC2=CON=C2C=C1
Herb Alias Names
Anthranil271-58-92,1-benzoxazoleBENZO[C]ISOXAZOLEBenz(c)isoxazoleMFCD00005806CHEBI:5155558GQ20G9W6NSC99331
Molecular Weight
119.12 g/mol
Molecular Formula
C7H5NO
Molecular Formula
C7H5NO
Num Rotatable Bonds
0