Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 7Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1637
- Core Entity Id
- 5010
- Source Entity Count
- 1
- Preferred Name
- 2-benzoxazolinone
- Name En
- Pubchem Id
- 6043
- Smiles Canonical
- C1=CC=C2C(=C1)NC(=O)O2
- Molecular Formula
- C7H5NO2
- Molecular Weight
- 135.1220
- Inchikey
- ASSKVPFEZFQQNQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C7H5NO2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
- Isomeric Smiles
- C1=CC=C2C(=C1)NC(=O)O2
- Cas Id
- Ob Score
- Mol Logp
- 1.1211
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5880
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Benzoxazolinone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-Benzoxazolinone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2-benzoxazolinone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-benzoxazolinone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
老鼠簕
Role
TCM_name
Source
TCMBank
Preferred
No
Name
LAO SHU LE
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Hollyleaf Acanthus
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
1,3-Benzoxazol-2(3H)-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1,3-Benzoxazol-2(3H)-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2(3H)-Benzoxazolone
Role
alias
Source
HERB_v2
Preferred
No
Name
2(3H)-Benzoxazolone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Benzoxazolol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Benzoxazolol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Benzoxazolone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Benzoxazolone
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Hydroxybenzoxazole
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Hydroxybenzoxazole
Role
alias
Source
HERB_v2
Preferred
No
Name
59-49-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
59-49-4
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzo[D]Oxazol-2(3H)-One
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzo[D]Oxazol-2(3H)-One
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzoxazolinone
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzoxazolinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzoxazolone
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzoxazolone
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
老鼠簕LAO SHU LEHollyleaf Acanthus1,3-Benzoxazol-2(3H)-one2(3H)-Benzoxazolone2-Benzoxazolol2-Benzoxazolone2-Hydroxybenzoxazole59-49-4Benzo[D]Oxazol-2(3H)-OneBenzoxazolinoneBenzoxazolone
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005352
Npass
NPC286195
Tcmid
2229
Pub Chem
6043
Tcmbank
TCMBANKIN042608
Etcm Ingredient
2-Benzoxazolinone
Itcmdb Generated
ITX-INGREDIENT-739817AE05FF
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C7H5NO2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
Mol Wt
135.122
Mol Log P
1.1211
In Ch Ikey
ASSKVPFEZFQQNQ-UHFFFAOYSA-N
Tcm Name
老鼠簕
Tcm Name2
LAO SHU LE
Mol2 Path
/TCM_database/2007_3d_all/02229.mol2
Reference
2080, 2107
Num Hdonors
1
Tcm Name En
Hollyleaf Acanthus
Drug Likeness
0.588
Num Hacceptors
2
Isomeric Smiles
C1=CC=C2C(=C1)NC(=O)O2
Canonical Smiles
C1=CC=C2C(=C1)NC(=O)O2
Herb Alias Names
59-49-4BenzoxazolinoneBenzoxazolone2(3H)-Benzoxazolone1,3-Benzoxazol-2(3H)-one2-HydroxybenzoxazoleBenzo[D]Oxazol-2(3H)-One2-Benzoxazolol2-Benzoxazolone
Molecular Weight
135.030
Molecular Weight
135.12 g/mol
Molecular Formula
C7H5NO2
Molecular Formula
C7H5NO2
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.013
Quantitative Estimate Of Drug Likeness（Qed）
0.588