Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 12Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 33483
- Core Entity Id
- 40407
- Source Entity Count
- 1
- Preferred Name
- Slogal
- Name En
- Pubchem Id
- 4641
- Smiles Canonical
- CCCCC1C(=O)N(N(C1=O)C2=CC=C(C=C2)O)C3=CC=CC=C3
- Molecular Formula
- C19H20N2O3
- Molecular Weight
- 324.3800
- Inchikey
- HFHZKZSRXITVMK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3
- Isomeric Smiles
- CCCCC1C(=O)N(N(C1=O)C2=CC=C(C=C2)O)C3=CC=CC=C3
- Cas Id
- Ob Score
- Mol Logp
- 3.4934
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.8560
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Slogal
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Slogal
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Slogal
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Slogal
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
slogal
Role
preferred
Source
TCMBank
Preferred
Yes
Name
129-20-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
129-20-4
Role
alias
Source
HERB_v2
Preferred
No
Name
Crovaril
Role
alias
Source
itcmdb_public
Preferred
No
Name
Crovaril
Role
alias
Source
HERB_v2
Preferred
No
Name
Flogitolo
Role
alias
Source
HERB_v2
Preferred
No
Name
Flogitolo
Role
alias
Source
itcmdb_public
Preferred
No
Name
Flogoril
Role
alias
Source
itcmdb_public
Preferred
No
Name
Flogoril
Role
alias
Source
HERB_v2
Preferred
No
Name
Frabel
Role
alias
Source
HERB_v2
Preferred
No
Name
Frabel
Role
alias
Source
itcmdb_public
Preferred
No
Name
Oxalid
Role
alias
Source
HERB_v2
Preferred
No
Name
Oxalid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Oxyphenylbutazone
Role
alias
Source
HERB_v2
Preferred
No
Name
Oxyphenylbutazone
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tandearil
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tandearil
Role
alias
Source
HERB_v2
Preferred
No
Name
Visubutina
Role
alias
Source
HERB_v2
Preferred
No
Name
Visubutina
Role
alias
Source
itcmdb_public
Preferred
No
Name
oxyphenbutazone
Role
alias
Source
HERB_v2
Preferred
No
Name
oxyphenbutazone
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
129-20-4CrovarilFlogitoloFlogorilFrabelOxalidOxyphenylbutazoneTandearilVisubutinaoxyphenbutazone
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN044196
Npass
NPC204156
Tcmid
23860
Sym Map
SMIT26822
Tcm Id
937
Pub Chem
4641
Tcmbank
TCMBANKIN020111
Itcmdb Generated
ITX-INGREDIENT-6999D0E660D9
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3
Mol Wt
324.3800000000001
Smiles
CCCCC1C(=O)N(N(C1=O)C2=CC=C(C=C2)O)C3=CC=CC=C3
Mol Log P
3.493400000000002
Version
v2
In Ch Ikey
HFHZKZSRXITVMK-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.856
Num Hacceptors
3
Isomeric Smiles
CCCCC1C(=O)N(N(C1=O)C2=CC=C(C=C2)O)C3=CC=CC=C3
Canonical Smiles
CCCCC1C(=O)N(N(C1=O)C2=CC=C(C=C2)O)C3=CC=CC=C3
Herb Alias Names
oxyphenbutazone129-20-4OxyphenylbutazoneTandearilCrovarilFlogitoloFlogorilVisubutinaFrabelOxalid
Molecular Weight
0
Molecular Formula
C19H20N2O3
Molecular Formula
C19H20N2O3
Num Rotatable Bonds
5