Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 13579
- Core Entity Id
- 18264
- Source Entity Count
- 1
- Preferred Name
- Canavalmine
- Name En
- Pubchem Id
- 125776
- Smiles Canonical
- C(CCNCCCNCCCCN)CN
- Molecular Formula
- C11H28N4
- Molecular Weight
- 216.3730
- Inchikey
- RZOHQCYUTFAJLA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H28N4/c12-6-1-3-8-14-10-5-11-15-9-4-2-7-13/h14-15H,1-13H2
- Isomeric Smiles
- C(CCNCCCNCCCCN)CN
- Cas Id
- 70862-15-6
- Ob Score
- 2.0409
- Mol Logp
- 0.0335
- Num H Donors
- 4
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 12
- Drug Likeness
- 0.3470
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Canavalmine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Canavalmine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Canavalmine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Canavalmine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Canavalmine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Canavalmine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(4-aminobutyl)({3-[(4-aminobutyl)amino]propyl})amine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(4-aminobutyl)({3-[(4-aminobutyl)amino]propyl})amine
Role
alias
Source
HERB_v2
Preferred
No
Name
1,13-Diamino-5,9-diazatridecane
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,13-Diamino-5,9-diazatridecane
Role
alias
Source
HERB_v2
Preferred
No
Name
1,13-Diamino-5,9-diazatridecane
Role
alias
Source
TCMBank
Preferred
No
Name
1,4-Butanediamine, N,N''-1,3-propanediylbis-
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,4-Butanediamine, N,N''-1,3-propanediylbis-
Role
alias
Source
HERB_v2
Preferred
No
Name
1,4-Butanediamine, N,N''-1,3-propanediylbis-
Role
alias
Source
TCMBank
Preferred
No
Name
4-aminobutyl-[3-(4-aminobutylamino)propyl]amine
Role
alias
Source
TCMBank
Preferred
No
Name
70862-15-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
70862-15-6
Role
alias
Source
HERB_v2
Preferred
No
Name
70862-15-6
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID60221097
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID60221097
Role
alias
Source
itcmdb_public
Preferred
No
Name
N'-[3-(4-aminobutylamino)propyl]butane-1,4-diamine
Role
alias
Source
HERB_v2
Preferred
No
Name
N'-[3-(4-aminobutylamino)propyl]butane-1,4-diamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
N,N''-1,3-Propanediylbis-1,4-Butanediamine
Role
alias
Source
HERB_v2
Preferred
No
Name
N,N''-1,3-Propanediylbis[1,4-butanediamine]
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-[3-(4-aminobutylamino)propyl]butane-1,4-diamine
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(4-aminobutyl)({3-[(4-aminobutyl)amino]propyl})amine1,13-Diamino-5,9-diazatridecane1,4-Butanediamine, N,N''-1,3-propanediylbis-4-aminobutyl-[3-(4-aminobutylamino)propyl]amine70862-15-6DTXSID60221097N'-[3-(4-aminobutylamino)propyl]butane-1,4-diamineN,N''-1,3-Propanediylbis-1,4-ButanediamineN,N''-1,3-Propanediylbis[1,4-butanediamine]N-[3-(4-aminobutylamino)propyl]butane-1,4-diamine
Cross References
Trusted external identifiers retained for this final record.
Cas
70862-15-6
Herb
HBIN019532
Tcmsp
MOL010525
Sym Map
SMIT11560
Pub Chem
125776
Tcmbank
TCMBANKIN002964
Etcm Ingredient
Canavalmine
Itcmdb Generated
ITX-INGREDIENT-35DFE8AD7900
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C11H28N4/c12-6-1-3-8-14-10-5-11-15-9-4-2-7-13/h14-15H,1-13H2
Mol Wt
216.3729999999999
Cas Id
70862-15-6
Smiles
C(CCNCCCNCCCCN)CN
Mol Log P
0.03350000000000242
Version
v1,v2
In Ch Ikey
RZOHQCYUTFAJLA-UHFFFAOYSA-N
Ob Score
2.0408777932.0408782.041
Suppress
0
Num Hdonors
4
Drug Likeness
0.347
Num Hacceptors
4
Isomeric Smiles
C(CCNCCCNCCCCN)CN
Molecule Weight
216.43
Canonical Smiles
C(CCNCCCNCCCCN)CN
Herb Alias Names
1,13-Diamino-5,9-diazatridecane70862-15-6N'-[3-(4-aminobutylamino)propyl]butane-1,4-diamineDTXSID60221097N,N''-1,3-Propanediylbis-1,4-ButanediamineN,N''-1,3-Propanediylbis[1,4-butanediamine]1,4-Butanediamine, N,N''-1,3-propanediylbis-(4-aminobutyl)({3-[(4-aminobutyl)amino]propyl})amineN,N''-1,3-propanediylbis(1,4-butanediamine)
Molecular Weight
216.230
Molecular Weight
216.37
Molecular Formula
C11H28N4
Molecular Formula
C11H28N4
Molecular Formula
C11H28N4
Num Rotatable Bonds
12
Fda Maximum Daily Dose (Fdamdd)
0.166
Quantitative Estimate Of Drug Likeness（Qed）
0.347