Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 12Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 13140
- Core Entity Id
- 17774
- Source Entity Count
- 1
- Preferred Name
- Muscimol
- Name En
- Pubchem Id
- 4266
- Smiles Canonical
- C1=C(ONC1=O)CN
- Molecular Formula
- C4H6N2O2
- Molecular Weight
- 114.1040
- Inchikey
- ZJQHPWUVQPJPQT-UHFFFAOYSA-N
- Inchi
- InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)
- Isomeric Smiles
- C1=C(ONC1=O)CN
- Cas Id
- 18174-72-6
- Ob Score
- Mol Logp
- -0.5734
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5130
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Muscimol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Muscimol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
muscimol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2763-96-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
2763-96-4
Role
alias
Source
HERB_v2
Preferred
No
Name
3(2H)-Isoxazolone, 5-(aminomethyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
3(2H)-Isoxazolone, 5-(aminomethyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Hydroxy-5-aminomethylisoxazole
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Hydroxy-5-aminomethylisoxazole
Role
alias
Source
HERB_v2
Preferred
No
Name
5-(Aminomethyl)-3(2H)-isoxazolone
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-(Aminomethyl)-3(2H)-isoxazolone
Role
alias
Source
HERB_v2
Preferred
No
Name
5-Aminomethyl-3-hydroxyisoxazole
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-Aminomethyl-3-hydroxyisoxazole
Role
alias
Source
HERB_v2
Preferred
No
Name
Agarin
Role
alias
Source
HERB_v2
Preferred
No
Name
Agarin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Agarine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Agarine
Role
alias
Source
HERB_v2
Preferred
No
Name
Pantherin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pantherin
Role
alias
Source
HERB_v2
Preferred
No
Name
Pantherine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pantherine
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2763-96-43(2H)-Isoxazolone, 5-(aminomethyl)-3-Hydroxy-5-aminomethylisoxazole5-(Aminomethyl)-3(2H)-isoxazolone5-Aminomethyl-3-hydroxyisoxazoleAgarinAgarinePantherinPantherine
Cross References
Trusted external identifiers retained for this final record.
Cas
18174-72-6
Hit
C1143
Herb
HBIN036014
Tcm Id
24891248922497
Pub Chem
4266
Tcmbank
TCMBANKIN013394
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)
Mol Wt
114.104
Cas Id
18174-72-6
Smiles
C1=C(ONC1=O)CN
Mol Log P
-0.5734000000000001
In Ch Ikey
ZJQHPWUVQPJPQT-UHFFFAOYSA-N
Num Hdonors
2
Drug Likeness
0.513
Num Hacceptors
3
Isomeric Smiles
C1=C(ONC1=O)CN
Canonical Smiles
C1=C(ONC1=O)CN
Herb Alias Names
2763-96-4AgarinPantherineAgarine3(2H)-Isoxazolone, 5-(aminomethyl)-5-Aminomethyl-3-hydroxyisoxazole3-Hydroxy-5-aminomethylisoxazole5-(Aminomethyl)-3(2H)-isoxazolonePantherin
Molecular Weight
114.1 g/mol
Molecular Formula
C4H6N2O2
Molecular Formula
C4H6N2O2
Num Rotatable Bonds
1