IngredientID 44453
(2E,4E,8E,10E,12E)-N-Isobutyl-2,4,8,10,12-tetradecapenta-enamide
C18H27NO
Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Target: 11Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 44453
- Core Entity Id
- 87464
- Source Entity Count
- 1
- Preferred Name
- (2E,4E,8E,10E,12E)-N-Isobutyl-2,4,8,10,12-tetradecapenta-enamide
- Name En
- Pubchem Id
- 5318518
- Smiles Canonical
- CC=CC=CC=CCCC=CC=CC(=O)NCC(C)C
- Molecular Formula
- C18H27NO
- Molecular Weight
- 273.2100
- Inchikey
- KVUKDCFEXVWYBN-FMBIJHKPSA-N
- Inchi
- InChI=1S/C18H27NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h4-9,12-15,17H,10-11,16H2,1-3H3,(H,19,20)/b5-4+,7-6+,9-8+,13-12+,15-14+
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 4.9000
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 9
- Drug Likeness
- Polar Surface Area
- 29.1000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(2E,4E,8E,10E,12E)-N-Isobutyl-2,4,8,10,12-tetradecapenta-enamide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(2E,4E,8E,10E,12E)-N-Isobutyl-2,4,8,10,12-tetradecapenta-enamide
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN015089
Etcm Ingredient
(2E,4E,8E,10E,12E)-N-Isobutyl-2,4,8,10,12-tetradecapenta-enamide
Itcmdb Generated
ITX-INGREDIENT-224FA6651129ITX-INGREDIENT-A053471EA293
Attributes
Merged source attributes and domain-specific metadata.
Tcm Name
花椒
Tcm Name2
Zanthoxylum sp. (Rutaceae)
Mol2 Path
/TCM_database/2007_3d_all/11286.mol2
Reference
217
Molecular Weight
273.210
Molecular Formula
C18H27NO
Fda Maximum Daily Dose (Fdamdd)
0.879
Quantitative Estimate Of Drug Likeness（Qed）
0.622