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
- 33565
- Core Entity Id
- 40501
- Source Entity Count
- 1
- Preferred Name
- Solapalmitenine
- Name En
- Pubchem Id
- 5321381
- Smiles Canonical
- CCCCCCCCCCCCCC=CC(=O)N(CCCCN(C)C)CCCCN(C)C
- Molecular Formula
- C28H57N3O
- Molecular Weight
- 451.7840
- Inchikey
- YYLJZOBXLHFBGQ-PTGBLXJZSA-N
- Inchi
- InChI=1S/C28H57N3O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-23-28(32)31(26-21-19-24-29(2)3)27-22-20-25-30(4)5/h18,23H,6-17,19-22,24-27H2,1-5H3/b23-18+
- Isomeric Smiles
- CCCCCCCCCCCCC/C=C/C(=O)N(CCCCN(C)C)CCCCN(C)C
- Cas Id
- Ob Score
- Mol Logp
- 6.7559
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 23
- Drug Likeness
- 0.1270
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Solapalmitenine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Solapalmitenine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
solapalmitenine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2E)-N,N-Bis[4-(dimethylamino)butyl]-2-hexadecenamide #
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2E)-N,N-Bis[4-(dimethylamino)butyl]-2-hexadecenamide #
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-N,N-Bis[4-(dimethylamino)butyl]-2-hexadecenamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-N,N-Bis[4-(dimethylamino)butyl]-2-hexadecenamide
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Hexadecenamide, N,N-bis[4-(dimethylamino)butyl]-, (E)-
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Hexadecenamide, N,N-bis[4-(dimethylamino)butyl]-, (E)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
SOLAPALMATININE
Role
alias
Source
itcmdb_public
Preferred
No
Name
SOLAPALMATININE
Role
alias
Source
HERB_v2
Preferred
No
Name
Solapalmitenin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Solapalmitenin
Role
alias
Source
HERB_v2
Preferred
No
Name
YYLJZOBXLHFBGQ-PTGBLXJZSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
YYLJZOBXLHFBGQ-PTGBLXJZSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2E)-N,N-Bis[4-(dimethylamino)butyl]-2-hexadecenamide #(E)-N,N-Bis[4-(dimethylamino)butyl]-2-hexadecenamide2-Hexadecenamide, N,N-bis[4-(dimethylamino)butyl]-, (E)-SOLAPALMATININESolapalmiteninYYLJZOBXLHFBGQ-PTGBLXJZSA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN044311
Tcmid
20046
Tcm Id
23921
Pub Chem
5321381
Tcmbank
TCMBANKIN018108
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C28H57N3O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-23-28(32)31(26-21-19-24-29(2)3)27-22-20-25-30(4)5/h18,23H,6-17,19-22,24-27H2,1-5H3/b23-18+
Mol Wt
451.7840000000004
Smiles
CCCCCCCCCCCCCC=CC(=O)N(CCCCN(C)C)CCCCN(C)C
Mol Log P
6.755900000000008
In Ch Ikey
YYLJZOBXLHFBGQ-PTGBLXJZSA-N
Num Hdonors
0
Drug Likeness
0.127
Num Hacceptors
3
Isomeric Smiles
CCCCCCCCCCCCC/C=C/C(=O)N(CCCCN(C)C)CCCCN(C)C
Canonical Smiles
CCCCCCCCCCCCCC=CC(=O)N(CCCCN(C)C)CCCCN(C)C
Herb Alias Names
SolapalmiteninSOLAPALMATININEYYLJZOBXLHFBGQ-PTGBLXJZSA-N2-Hexadecenamide, N,N-bis[4-(dimethylamino)butyl]-, (E)-(E)-N,N-Bis[4-(dimethylamino)butyl]-2-hexadecenamide(2E)-N,N-Bis[4-(dimethylamino)butyl]-2-hexadecenamide #
Molecular Weight
451.8 g/mol
Molecular Formula
C28H57N3O
Molecular Formula
C28H57N3O
Num Rotatable Bonds
23