Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 7Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 34063
- Core Entity Id
- 41058
- Source Entity Count
- 1
- Preferred Name
- Stizolamine
- Name En
- Pubchem Id
- 21780519
- Smiles Canonical
- CN1C(=CN=C(C1=O)N=C(N)N)CO
- Molecular Formula
- C7H11N5O2
- Molecular Weight
- 197.1980
- Inchikey
- XZOSNHNAQRVGSZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C7H11N5O2/c1-12-4(3-13)2-10-5(6(12)14)11-7(8)9/h2,13H,3H2,1H3,(H4,8,9,10,11)
- Isomeric Smiles
- CN1C(=CN=C(C1=O)N=C(N)N)CO
- Cas Id
- 61481-34-3
- Ob Score
- 67.5227
- Mol Logp
- -1.8225
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.3810
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Stizolamine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Stizolamine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Stizolamine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
stizolamine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
stizolamine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-methyl-3-guanidino-6-hydroxymethylpyrazin-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1-methyl-3-guanidino-6-hydroxymethylpyrazin-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-[5-(hydroxymethyl)-4-methyl-3-oxopyrazin-2-yl]guanidine
Role
alias
Source
HERB_v2
Preferred
No
Name
2-[5-(hydroxymethyl)-4-methyl-3-oxopyrazin-2-yl]guanidine
Role
alias
Source
itcmdb_public
Preferred
No
Name
61481-34-3
Role
alias
Source
HERB_v2
Preferred
No
Name
61481-34-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:230793
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:230793
Role
alias
Source
HERB_v2
Preferred
No
Name
DB-298314
Role
alias
Source
itcmdb_public
Preferred
No
Name
DB-298314
Role
alias
Source
HERB_v2
Preferred
No
Name
N-(3,4-dihydro-5-hydroxymethyl-4-methyl-3-oxopyrazin-2-yl)guanidine
Role
alias
Source
HERB_v2
Preferred
No
Name
N-(3,4-dihydro-5-hydroxymethyl-4-methyl-3-oxopyrazin-2-yl)guanidine
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-methyl-3-guanidino-6-hydroxymethylpyrazin-2-one2-[5-(hydroxymethyl)-4-methyl-3-oxopyrazin-2-yl]guanidine61481-34-3CHEBI:230793DB-298314N-(3,4-dihydro-5-hydroxymethyl-4-methyl-3-oxopyrazin-2-yl)guanidine
Cross References
Trusted external identifiers retained for this final record.
Cas
61481-34-3
Herb
HBIN044956
Npass
NPC277098
Tcmid
20369
Tcmsp
MOL005947
Sym Map
SMIT07632
Pub Chem
21780519
Tcmbank
TCMBANKIN040017
Etcm Ingredient
stizolamine
Itcmdb Generated
ITX-INGREDIENT-8DB8C37C18FA
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C7H11N5O2/c1-12-4(3-13)2-10-5(6(12)14)11-7(8)9/h2,13H,3H2,1H3,(H4,8,9,10,11)
Mol Wt
197.198
Cas Id
61481-34-3
Smiles
CN1C(=CN=C(C1=O)N=C(N)N)CO
Mol Log P
-1.8225
Version
v1,v2
In Ch Ikey
XZOSNHNAQRVGSZ-UHFFFAOYSA-N
Ob Score
67.52273167.5227311167.523
Suppress
0
Mol2 Path
/TCM_database/2007_3d_all/20385.mol2
Reference
660
Num Hdonors
3
Drug Likeness
0.381
Num Hacceptors
5
Isomeric Smiles
CN1C(=CN=C(C1=O)N=C(N)N)CO
Molecule Weight
197.23
Canonical Smiles
CN1C(=CN=C(C1=O)N=C(N)N)CO
Herb Alias Names
61481-34-3CHEBI:230793DB-2983141-methyl-3-guanidino-6-hydroxymethylpyrazin-2-one2-[5-(hydroxymethyl)-4-methyl-3-oxopyrazin-2-yl]guanidineN-(3,4-dihydro-5-hydroxymethyl-4-methyl-3-oxopyrazin-2-yl)guanidine
Molecular Weight
197.090
Molecular Weight
197.19
Molecular Formula
C7H11N5O2
Molecular Formula
C7H11N5O2
Molecular Formula
C7H11N5O2
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.044
Quantitative Estimate Of Drug Likeness（Qed）
0.308