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
- 5816
- Core Entity Id
- 9652
- Source Entity Count
- 1
- Preferred Name
- 4-aminobenzaldoxime
- Name En
- Pubchem Id
- 102410
- Smiles Canonical
- C1=CC(=CC=C1C=NO)N
- Molecular Formula
- C7H8N2O
- Molecular Weight
- 136.1540
- Inchikey
- YNTVUIMHMDCDHR-UHFFFAOYSA-N
- Inchi
- InChI=1S/C7H8N2O/c8-7-3-1-6(2-4-7)5-9-10/h1-5,10H,8H2
- Isomeric Smiles
- C1=CC(=CC=C1C=NO)N
- Cas Id
- 3419-18-9
- Ob Score
- 24.5969
- Mol Logp
- 1.0769
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.2620
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-Aminobenzaldoxime
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
4-Aminobenzaldoxime
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
4-aminobenzaldoxime
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4-aminobenzaldoxime
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4-aminobenzaldoxime
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(4-aminophenyl) nitrone
Role
alias
Source
HERB_v2
Preferred
No
Name
(4-aminophenyl) nitrone
Role
alias
Source
itcmdb_public
Preferred
No
Name
(NE)-N-[(4-aminophenyl)methylidene]hydroxylamine
Role
alias
Source
TCMBank
Preferred
No
Name
3419-18-9
Role
alias
Source
HERB_v2
Preferred
No
Name
3419-18-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-aminobenzaldehyde oxime
Role
alias
Source
TCMBank
Preferred
No
Name
Benzaldehyde, 4-amino-, oxime
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzaldehyde, 4-amino-, oxime
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID1063019
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID1063019
Role
alias
Source
itcmdb_public
Preferred
No
Name
KFGZXHNWILIKBL-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
KFGZXHNWILIKBL-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL8047348
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL8047348
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL8076350
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL8076350
Role
alias
Source
itcmdb_public
Preferred
No
Name
p-aminobenzaldehyde oxime
Role
alias
Source
HERB_v2
Preferred
No
Name
p-aminobenzaldehyde oxime
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(4-aminophenyl) nitrone(NE)-N-[(4-aminophenyl)methylidene]hydroxylamine3419-18-94-aminobenzaldehyde oximeBenzaldehyde, 4-amino-, oximeDTXSID1063019KFGZXHNWILIKBL-UHFFFAOYSA-NSCHEMBL8047348SCHEMBL8076350p-aminobenzaldehyde oxime
Cross References
Trusted external identifiers retained for this final record.
Cas
3419-18-9
Herb
HBIN010217
Tcmsp
MOL012397
Sym Map
SMIT13154
Pub Chem
1024106504367
Tcmbank
TCMBANKIN002248
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C7H8N2O/c8-7-3-1-6(2-4-7)5-9-10/h1-5,10H,8H2
Mol Wt
136.154
Cas Id
3419-18-9
Smiles
C1=CC(=CC=C1C=NO)N
Mol Log P
1.0769
Version
v1
In Ch Ikey
YNTVUIMHMDCDHR-UHFFFAOYSA-N
Ob Score
24.5968787324.59687924.597
Suppress
1
Num Hdonors
2
Drug Likeness
0.262
Num Hacceptors
3
Isomeric Smiles
C1=CC(=CC=C1C=NO)N
Molecule Weight
136.17
Canonical Smiles
C1=CC(=CC=C1C=NO)N
Herb Alias Names
Benzaldehyde, 4-amino-, oxime3419-18-9p-aminobenzaldehyde oxime(4-aminophenyl) nitroneSCHEMBL8047348SCHEMBL8076350DTXSID1063019KFGZXHNWILIKBL-UHFFFAOYSA-N
Molecular Weight
136.15
Molecular Formula
C7H8N2O
Molecular Formula
C7H8N2O
Num Rotatable Bonds
1