Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 24188
- Core Entity Id
- 30070
- Source Entity Count
- 1
- Preferred Name
- Lanyuamide iii
- Name En
- Pubchem Id
- 5318941
- Smiles Canonical
- CCC=CCC=CCCC=CC=CC(=O)NCC(C)C
- Molecular Formula
- C18H29NO
- Molecular Weight
- 275.4360
- Inchikey
- YFRGJIVWBMOBIT-NPNWTSAVSA-N
- Inchi
- InChI=1S/C18H29NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h5-6,8-9,12-15,17H,4,7,10-11,16H2,1-3H3,(H,19,20)/b6-5+,9-8-,13-12+,15-14+
- Isomeric Smiles
- CC/C=C/C/C=C\CC/C=C/C=C/C(=O)NCC(C)C
- Cas Id
- Ob Score
- Mol Logp
- 4.5637
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 10
- Drug Likeness
- 0.2690
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lanyuamide iii
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Lanyuamide iii
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
lanyuamide iii
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2E,4E,8Z,11E)-N-(2-methylpropyl)tetradeca-2,4,8,11-tetraenamide
Role
alias
Source
HERB_v2
Preferred
No
Name
(2E,4E,8Z,11E)-N-(2-methylpropyl)tetradeca-2,4,8,11-tetraenamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:229153
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:229153
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2E,4E,8Z,11E)-N-(2-methylpropyl)tetradeca-2,4,8,11-tetraenamideCHEBI:229153
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN032646
Tcmid
12495
Pub Chem
5318941
Tcmbank
TCMBANKIN039071
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H29NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h5-6,8-9,12-15,17H,4,7,10-11,16H2,1-3H3,(H,19,20)/b6-5+,9-8-,13-12+,15-14+
Mol Wt
275.436
Smiles
CCC=CCC=CCCC=CC=CC(=O)NCC(C)C
Mol Log P
4.563700000000004
In Ch Ikey
YFRGJIVWBMOBIT-NPNWTSAVSA-N
Mol2 Path
/TCM_database/2007_3d_all/12500.mol2
Reference
2176, 2360
Num Hdonors
1
Drug Likeness
0.269
Num Hacceptors
1
Isomeric Smiles
CC/C=C/C/C=C\CC/C=C/C=C/C(=O)NCC(C)C
Canonical Smiles
CCC=CCC=CCCC=CC=CC(=O)NCC(C)C
Herb Alias Names
CHEBI:229153(2E,4E,8Z,11E)-N-(2-methylpropyl)tetradeca-2,4,8,11-tetraenamide
Molecular Weight
275.4 g/mol
Molecular Formula
C18H29NO
Molecular Formula
C18H29NO
Num Rotatable Bonds
10