Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 33745
- Core Entity Id
- 40705
- Source Entity Count
- 1
- Preferred Name
- Spiramide
- Name En
- Pubchem Id
- 68186
- Smiles Canonical
- C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCOC4=CC=C(C=C4)F
- Molecular Formula
- C22H26FN3O2
- Molecular Weight
- 383.4670
- Inchikey
- FJUKDAZEABGEIH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C22H26FN3O2/c23-18-7-9-20(10-8-18)28-16-4-13-25-14-11-22(12-15-25)21(27)24-17-26(22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,24,27)
- Isomeric Smiles
- C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCOC4=CC=C(C=C4)F
- Cas Id
- Ob Score
- Mol Logp
- 3.0231
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.7790
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Spiramide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Spiramide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Spiramide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
机检修仙菊
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JI JIAN XIU XIAN JU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Acute Spiraea
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
510-74-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
510-74-7
Role
alias
Source
HERB_v2
Preferred
No
Name
8-[3-(4-Fluorophenoxy)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
8-[3-(4-Fluorophenoxy)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
AMI-193
Role
alias
Source
itcmdb_public
Preferred
No
Name
AMI-193
Role
alias
Source
HERB_v2
Preferred
No
Name
Espiramida
Role
alias
Source
itcmdb_public
Preferred
No
Name
Espiramida
Role
alias
Source
HERB_v2
Preferred
No
Name
Fluroxyspiramine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Fluroxyspiramine
Role
alias
Source
HERB_v2
Preferred
No
Name
R 5808
Role
alias
Source
HERB_v2
Preferred
No
Name
R 5808
Role
alias
Source
itcmdb_public
Preferred
No
Name
Spiramide [INN]
Role
alias
Source
itcmdb_public
Preferred
No
Name
Spiramide [INN]
Role
alias
Source
HERB_v2
Preferred
No
Name
Spiramidum
Role
alias
Source
itcmdb_public
Preferred
No
Name
Spiramidum
Role
alias
Source
HERB_v2
Preferred
No
Name
Spiramidum [INN-Latin]
Role
alias
Source
itcmdb_public
Preferred
No
Name
Spiramidum [INN-Latin]
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
机检修仙菊JI JIAN XIU XIAN JUAcute Spiraea510-74-78-[3-(4-Fluorophenoxy)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-oneAMI-193EspiramidaFluroxyspiramineR 5808Spiramide [INN]SpiramidumSpiramidum [INN-Latin]
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN044552
Npass
NPC315257
Tcmid
20177
Pub Chem
68186
Tcmbank
TCMBANKIN043082
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C22H26FN3O2/c23-18-7-9-20(10-8-18)28-16-4-13-25-14-11-22(12-15-25)21(27)24-17-26(22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,24,27)
Mol Wt
383.4670000000002
Mol Log P
3.023100000000001
In Ch Ikey
FJUKDAZEABGEIH-UHFFFAOYSA-N
Tcm Name
机检修仙菊
Tcm Name2
JI JIAN XIU XIAN JU
Mol2 Path
/TCM_database/2007_3d_all/20193.mol2
Reference
3045
Num Hdonors
1
Tcm Name En
Acute Spiraea
Drug Likeness
0.779
Num Hacceptors
4
Isomeric Smiles
C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCOC4=CC=C(C=C4)F
Canonical Smiles
C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCOC4=CC=C(C=C4)F
Herb Alias Names
AMI-193510-74-7EspiramidaSpiramidumFluroxyspiramineSpiramide [INN]8-[3-(4-Fluorophenoxy)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-oneR 5808Spiramidum [INN-Latin]
Molecular Weight
383.5 g/mol
Molecular Formula
C22H26FN3O2
Num Rotatable Bonds
6