Relationship Network
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 33567
- Core Entity Id
- 40503
- Source Entity Count
- 1
- Preferred Name
- Solapalmitine
- Name En
- Pubchem Id
- 275969
- Smiles Canonical
- CCCCCCCCCCCCCCCC(=O)N(CCCCN(C)C)CCCCN(C)C
- Molecular Formula
- C28H59N3O
- Molecular Weight
- 453.8000
- Inchikey
- VEHJXNZJUVYBQN-UHFFFAOYSA-N
- Inchi
- InChI=1S/C28H59N3O/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/h6-27H2,1-5H3
- Isomeric Smiles
- CCCCCCCCCCCCCCCC(=O)N(CCCCN(C)C)CCCCN(C)C
- Cas Id
- 17232-85-8
- Ob Score
- Mol Logp
- 6.9799
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 24
- Drug Likeness
- 0.1470
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Solapalmitine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Solapalmitine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
solapalmitine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
17232-85-8
Role
alias
Source
HERB_v2
Preferred
No
Name
17232-85-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
4,4'-Bis(dimethylamino)-N-palmitoyldibutylamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
4,4'-Bis(dimethylamino)-N-palmitoyldibutylamine
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL460314
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL460314
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID30298438
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID30298438
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hexadecanamide, N,N-bis[4-(dimethylamino)butyl]-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hexadecanamide, N,N-bis[4-(dimethylamino)butyl]-
Role
alias
Source
HERB_v2
Preferred
No
Name
N,N-Bis(4-dimethylaminobutyl)palmitoyl amide
Role
alias
Source
itcmdb_public
Preferred
No
Name
N,N-Bis(4-dimethylaminobutyl)palmitoyl amide
Role
alias
Source
HERB_v2
Preferred
No
Name
N,N-Bis[4-(dimethylamino)butyl]hexadecanamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
N,N-Bis[4-(dimethylamino)butyl]hexadecanamide
Role
alias
Source
HERB_v2
Preferred
No
Name
SOLAPALMATINE
Role
alias
Source
HERB_v2
Preferred
No
Name
SOLAPALMATINE
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
17232-85-84,4'-Bis(dimethylamino)-N-palmitoyldibutylamineCHEMBL460314DTXSID30298438Hexadecanamide, N,N-bis[4-(dimethylamino)butyl]-N,N-Bis(4-dimethylaminobutyl)palmitoyl amideN,N-Bis[4-(dimethylamino)butyl]hexadecanamideSOLAPALMATINE
Cross References
Trusted external identifiers retained for this final record.
Cas
17232-85-8
Herb
HBIN044313
Npass
NPC66161
Tcmid
20047
Tcm Id
913
Pub Chem
275969
Tcmbank
TCMBANKIN016074
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C28H59N3O/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/h6-27H2,1-5H3
Mol Wt
453.8000000000004
Cas Id
17232-85-8
Smiles
CCCCCCCCCCCCCCCC(=O)N(CCCCN(C)C)CCCCN(C)C
Mol Log P
6.979900000000008
In Ch Ikey
VEHJXNZJUVYBQN-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.147
Num Hacceptors
3
Isomeric Smiles
CCCCCCCCCCCCCCCC(=O)N(CCCCN(C)C)CCCCN(C)C
Canonical Smiles
CCCCCCCCCCCCCCCC(=O)N(CCCCN(C)C)CCCCN(C)C
Herb Alias Names
SOLAPALMATINE17232-85-8Hexadecanamide, N,N-bis[4-(dimethylamino)butyl]-N,N-Bis[4-(dimethylamino)butyl]hexadecanamideDTXSID302984384,4'-Bis(dimethylamino)-N-palmitoyldibutylamineN,N-Bis(4-dimethylaminobutyl)palmitoyl amideHexadecanamide, N,N-bis(4-(dimethylamino)butyl)-CHEMBL460314
Molecular Weight
453.79
Molecular Formula
C28H59N3O
Molecular Formula
C28H59N3O
Num Rotatable Bonds
24