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: 2Ingredient: 1Target: 12Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6239
- Core Entity Id
- 10117
- Source Entity Count
- 1
- Preferred Name
- 4-nonenal
- Name En
- Pubchem Id
- 5283337
- Smiles Canonical
- CCCCC=CCCC=O
- Molecular Formula
- C9H16O
- Molecular Weight
- 140.2260
- Inchikey
- QPULDJYQYDGZEI-AATRIKPKSA-N
- Inchi
- InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h5-6,9H,2-4,7-8H2,1H3/b6-5+
- Isomeric Smiles
- CCCC/C=C/CCC=O
- Cas Id
- 2277-16-9
- Ob Score
- 18.3206
- Mol Logp
- 2.7119
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.3150
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-Nonenal
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
4-Nonenal
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
4-nonenal
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4-nonenal
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4-nonenal
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4-nonenal
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(4E)-4-Nonenal
Role
alias
Source
HERB_v2
Preferred
No
Name
(4E)-4-Nonenal
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-4-Nonenal
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-4-Nonenal
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-non-4-enal
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-non-4-enal
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-non-4-enal
Role
alias
Source
TCMBank
Preferred
No
Name
2277-16-9
Role
alias
Source
HERB_v2
Preferred
No
Name
2277-16-9
Role
alias
Source
TCMBank
Preferred
No
Name
2277-16-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-NONENAL (TRANS)
Role
alias
Source
HERB_v2
Preferred
No
Name
4-NONENAL (TRANS)
Role
alias
Source
TCMBank
Preferred
No
Name
4-NONENAL (TRANS)
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Nonenal, (E)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Nonenal, (E)-
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Nonenal, (E)-
Role
alias
Source
TCMBank
Preferred
No
Name
F418SB3097
Role
alias
Source
HERB_v2
Preferred
No
Name
F418SB3097
Role
alias
Source
itcmdb_public
Preferred
No
Name
FEMA No. 4302
Role
alias
Source
HERB_v2
Preferred
No
Name
FEMA No. 4302
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMFA06000043
Role
alias
Source
TCMBank
Preferred
No
Name
trans-4-Nonenal
Role
alias
Source
TCMBank
Preferred
No
Name
trans-4-Nonenal
Role
alias
Source
itcmdb_public
Preferred
No
Name
trans-4-Nonenal
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(4E)-4-Nonenal(E)-4-Nonenal(E)-non-4-enal2277-16-94-NONENAL (TRANS)4-Nonenal, (E)-F418SB3097FEMA No. 4302LMFA06000043trans-4-Nonenal
Cross References
Trusted external identifiers retained for this final record.
Cas
2277-16-9
Herb
HBIN010729
Tcmsp
MOL003474
Sym Map
SMIT05537
Pub Chem
5283337
Tcmbank
TCMBANKIN001475
Etcm Ingredient
4-nonenal
Itcmdb Generated
ITX-INGREDIENT-18501CA6FED1
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h5-6,9H,2-4,7-8H2,1H3/b6-5+
Mol Wt
140.226
Cas Id
2277-16-9
Smiles
CCCCC=CCCC=O
Mol Log P
2.711900000000001
Version
v1,v2
In Ch Ikey
QPULDJYQYDGZEI-AATRIKPKSA-N
Ob Score
18.3206129618.32061318.321
Suppress
0
Num Hdonors
0
Drug Likeness
0.315
Num Hacceptors
1
Isomeric Smiles
CCCC/C=C/CCC=O
Molecule Weight
140.25
Canonical Smiles
CCCCC=CCCC=O
Herb Alias Names
trans-4-Nonenal(E)-non-4-enal2277-16-9(E)-4-Nonenal4-Nonenal, (E)-4-NONENAL (TRANS)FEMA No. 4302(4E)-4-NonenalF418SB3097
Molecular Weight
140.120
Molecular Weight
140.22
Molecular Formula
C9H16O
Molecular Formula
C9H16O
Molecular Formula
C9H16O
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.019
Quantitative Estimate Of Drug Likeness（Qed）
0.315