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
- 6309
- Core Entity Id
- 10194
- Source Entity Count
- 1
- Preferred Name
- 4-pentenamide
- Name En
- Pubchem Id
- 11815293
- Smiles Canonical
- C=CCCC(=O)N
- Molecular Formula
- C5H9NO
- Molecular Weight
- 99.1330
- Inchikey
- DVFGVGYKHMQZJC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C5H9NO/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H2,6,7)
- Isomeric Smiles
- C=CCCC(=O)N
- Cas Id
- Ob Score
- Mol Logp
- 0.4379
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.5120
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-Pentenamide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
4-Pentenamide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4-pentenamide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4-pentenamide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
播娘蒿
Role
TCM_name
Source
TCMBank
Preferred
No
Name
BO NIANG HAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Flixweed Tansymustard Seed
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
6852-94-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
6852-94-4
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS006239817
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS006239817
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID20473353
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID20473353
Role
alias
Source
itcmdb_public
Preferred
No
Name
DVFGVGYKHMQZJC-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
DVFGVGYKHMQZJC-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD17015388
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD17015388
Role
alias
Source
HERB_v2
Preferred
No
Name
Pent-4-enamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pent-4-enamide
Role
alias
Source
HERB_v2
Preferred
No
Name
Pent-4-enoic acid amide
Role
alias
Source
HERB_v2
Preferred
No
Name
Pent-4-enoic acid amide
Role
alias
Source
itcmdb_public
Preferred
No
Name
allyl acetamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
allylacetamide
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
播娘蒿BO NIANG HAOFlixweed Tansymustard Seed6852-94-4AKOS006239817DTXSID20473353DVFGVGYKHMQZJC-UHFFFAOYSA-NMFCD17015388Pent-4-enamidePent-4-enoic acid amideallyl acetamideallylacetamide
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010809
Npass
NPC194698
Tcmid
16874
Pub Chem
11815293
Tcmbank
TCMBANKIN048569
Etcm Ingredient
4-Pentenamide
Itcmdb Generated
ITX-INGREDIENT-776C94A1C3E8
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C5H9NO/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H2,6,7)
Mol Wt
99.133
Mol Log P
0.4379000000000001
In Ch Ikey
DVFGVGYKHMQZJC-UHFFFAOYSA-N
Tcm Name
播娘蒿
Tcm Name2
BO NIANG HAO
Mol2 Path
/TCM_database/2007_3d_all/16887.mol2
Reference
4903
Num Hdonors
1
Tcm Name En
Flixweed Tansymustard Seed
Drug Likeness
0.512
Num Hacceptors
1
Isomeric Smiles
C=CCCC(=O)N
Canonical Smiles
C=CCCC(=O)N
Herb Alias Names
Pent-4-enamide6852-94-4Pent-4-enoic acid amideMFCD17015388allylacetamideallyl acetamideDTXSID20473353DVFGVGYKHMQZJC-UHFFFAOYSA-NAKOS006239817
Molecular Weight
99.070
Molecular Weight
99.13 g/mol
Molecular Formula
C5H9NO
Molecular Formula
C5H9NO
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.017
Quantitative Estimate Of Drug Likeness（Qed）
0.512