Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 35923
- Core Entity Id
- 43118
- Source Entity Count
- 1
- Preferred Name
- Trypargine
- Name En
- Pubchem Id
- 187306
- Smiles Canonical
- C1CNC(C2=C1C3=CC=CC=C3N2)CCCN=C(N)N
- Molecular Formula
- C15H21N5
- Molecular Weight
- 271.3680
- Inchikey
- NMPAXZOTIQZCEM-ZDUSSCGKSA-N
- Inchi
- InChI=1S/C15H21N5/c16-15(17)19-8-3-6-13-14-11(7-9-18-13)10-4-1-2-5-12(10)20-14/h1-2,4-5,13,18,20H,3,6-9H2,(H4,16,17,19)/t13-/m0/s1
- Isomeric Smiles
- C1CN[C@H](C2=C1C3=CC=CC=C3N2)CCCN=C(N)N
- Cas Id
- Ob Score
- Mol Logp
- 1.4083
- Num H Donors
- 4
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.3850
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Trypargine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Trypargine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Trypargine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
非洲蛙
Role
TCM_name
Source
TCMBank
Preferred
No
Name
FEI ZHOU WA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
African frog
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(-)-Trypargine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(-)-Trypargine
Role
alias
Source
HERB_v2
Preferred
No
Name
82054-21-5
Role
alias
Source
HERB_v2
Preferred
No
Name
82054-21-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID401002429
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID401002429
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-[3-(2,3,4,9-Tetrahydro-1H-pyrido[3,4-b]indol-1-yl)propyl]guanidine
Role
alias
Source
HERB_v2
Preferred
No
Name
N-[3-(2,3,4,9-Tetrahydro-1H-pyrido[3,4-b]indol-1-yl)propyl]guanidine
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
非洲蛙FEI ZHOU WAAfrican frog(-)-Trypargine82054-21-5DTXSID401002429N-[3-(2,3,4,9-Tetrahydro-1H-pyrido[3,4-b]indol-1-yl)propyl]guanidine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN047273
Tcmid
22041
Pub Chem
187306
Tcmbank
TCMBANKIN037036
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H21N5/c16-15(17)19-8-3-6-13-14-11(7-9-18-13)10-4-1-2-5-12(10)20-14/h1-2,4-5,13,18,20H,3,6-9H2,(H4,16,17,19)/t13-/m0/s1
Mol Wt
271.368
Mol Log P
1.4083
In Ch Ikey
NMPAXZOTIQZCEM-ZDUSSCGKSA-N
Tcm Name
非洲蛙
Tcm Name2
FEI ZHOU WA
Mol2 Path
/TCM_database/2007_3d_all/22057.mol2
Reference
658
Num Hdonors
4
Tcm Name En
African frog
Drug Likeness
0.385
Num Hacceptors
2
Isomeric Smiles
C1CN[C@H](C2=C1C3=CC=CC=C3N2)CCCN=C(N)N
Canonical Smiles
C1CNC(C2=C1C3=CC=CC=C3N2)CCCN=C(N)N
Herb Alias Names
82054-21-5(-)-TrypargineDTXSID401002429N-[3-(2,3,4,9-Tetrahydro-1H-pyrido[3,4-b]indol-1-yl)propyl]guanidine
Molecular Weight
271.36 g/mol
Molecular Formula
C15H21N5
Num Rotatable Bonds
4