Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 2Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1814
- Core Entity Id
- 5204
- Source Entity Count
- 1
- Preferred Name
- Pipericine
- Name En
- Pubchem Id
- 101713141
- Smiles Canonical
- CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C
- Molecular Formula
- C22H41NO
- Molecular Weight
- 335.5760
- Inchikey
- QQCGKIZHTJLRNN-NBRVCOCJSA-N
- Inchi
- InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)/b17-16+,19-18+
- Isomeric Smiles
- CCCCCCCCCCCCC/C=C/C=C/C(=O)NCC(C)C
- Cas Id
- 54794-70-6
- Ob Score
- 40.7080
- Mol Logp
- 6.5721
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 16
- Drug Likeness
- 0.1930
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(2E,4E)-N-Isobutyloctadeca-2,4-Dienamide
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(2E,4E)-N-Isobutyloctadeca-2,4-Dienamide
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(2E,4E)-N-isobutyloctadeca-2,4-dienamide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2E,4E)-N-isobutyloctadeca-2,4-dienamide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(2e,4e)-n-isobutyloctadeca-2,4-dienamide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2e,4e)-n-isobutyloctadeca-2,4-dienamide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Pipericine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Pipericine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
pipericine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2E,4E)-N-(2-methylpropyl)octadeca-2,4-dienamide
Role
alias
Source
TCMBank
Preferred
No
Name
(2E,4E)-N-(2-methylpropyl)octadeca-2,4-dienamide
Role
alias
Source
HERB_v2
Preferred
No
Name
(2E,4E)-N-(2-methylpropyl)octadeca-2,4-dienamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2E,4E)-N-Isobutyloctadeca-2,4-dienamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2E,4E)-N-Isobutyloctadeca-2,4-dienamide
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:165576
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:165576
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL256217
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL256217
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID10718144
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID10718144
Role
alias
Source
HERB_v2
Preferred
No
Name
LMFA08020200
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMFA08020200
Role
alias
Source
HERB_v2
Preferred
No
Name
N-Isobutyloctadeca-trans-2-trans-4-dienamide
Role
alias
Source
HERB_v2
Preferred
No
Name
N-Isobutyloctadeca-trans-2-trans-4-dienamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-isobutyl-(2E,4E)-octadecadienamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-isobutyl-(2E,4E)-octadecadienamide
Role
alias
Source
HERB_v2
Preferred
No
Name
Pipericine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pipericine
Role
alias
Source
HERB_v2
Preferred
No
Name
QQCGKIZHTJLRNN-NBRVCOCJSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
QQCGKIZHTJLRNN-NBRVCOCJSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2E,4E)-N-Isobutyloctadeca-2,4-Dienamide(2E,4E)-N-(2-methylpropyl)octadeca-2,4-dienamideCHEBI:165576CHEMBL256217DTXSID10718144LMFA08020200N-Isobutyloctadeca-trans-2-trans-4-dienamideN-isobutyl-(2E,4E)-octadecadienamideQQCGKIZHTJLRNN-NBRVCOCJSA-N
Cross References
Trusted external identifiers retained for this final record.
Cas
54794-70-6
Herb
HBIN005562HBIN040067
Npass
NPC24216
Tcmsp
MOL002843
Sym Map
SMIT05016
Tcm Id
1624
Pub Chem
1017131419974234
Tcmbank
TCMBANKIN002885TCMBANKIN007060
Etcm Ingredient
(2E,4E)-N-isobutyloctadeca-2,4-dienamide
Itcmdb Generated
ITX-INGREDIENT-E37634171D90
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)/b17-16+,19-18+
Mol Wt
335.5760000000001
Cas Id
54794-70-6
Smiles
CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C
Mol Log P
6.572100000000007
Version
v1,v2
In Ch Ikey
QQCGKIZHTJLRNN-NBRVCOCJSA-N
Ob Score
40.70840.7080219540.708022
Suppress
0
Num Hdonors
1
Drug Likeness
0.193
Num Hacceptors
1
Isomeric Smiles
CCCCCCCCCCCCC/C=C/C=C/C(=O)NCC(C)C
Molecule Weight
335.64
Canonical Smiles
CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C
Herb Alias Names
Pipericine(2E,4E)-N-(2-methylpropyl)octadeca-2,4-dienamideN-Isobutyloctadeca-trans-2-trans-4-dienamideCHEMBL256217DTXSID10718144CHEBI:165576QQCGKIZHTJLRNN-NBRVCOCJSA-NLMFA08020200N-isobutyl-(2E,4E)-octadecadienamide
Molecular Weight
335.320
Molecular Weight
335.57335.6 g/mol
Molecular Formula
C22H41NO
Molecular Formula
C22H41NO
Molecular Formula
C22H41NO
Num Rotatable Bonds
16
Fda Maximum Daily Dose (Fdamdd)
0.702
Quantitative Estimate Of Drug Likeness（Qed）
0.251