Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 885
- Core Entity Id
- 4178
- Source Entity Count
- 1
- Preferred Name
- 2,4-nonadienicacid
- Name En
- Pubchem Id
- 54498674
- Smiles Canonical
- CCCCC=CC=CC(=O)O
- Molecular Formula
- C9H14O2
- Molecular Weight
- 154.2090
- Inchikey
- YAWXLPDXHPHGPX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H14O2/c1-2-3-4-5-6-7-8-9(10)11/h5-8H,2-4H2,1H3,(H,10,11)
- Isomeric Smiles
- CCCCC=CC=CC(=O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.3736
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.3750
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,4-Nonadienic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2,4-Nonadienicacid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2,4-nonadienicacid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,4-nonadienicacid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,4-nonadienicacid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2,4-Nonadienic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,4-Nonadienic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2,4-nonadienic acid
Role
alias
Source
TCMBank
Preferred
No
Name
51109-34-3
Role
alias
Source
HERB_v2
Preferred
No
Name
51109-34-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:228973
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:228973
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID90711779
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID90711779
Role
alias
Source
HERB_v2
Preferred
No
Name
nona-2,4-dienoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
nona-2,4-dienoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2,4-Nonadienic acid51109-34-3CHEBI:228973DTXSID90711779nona-2,4-dienoic acid
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004482
Tcmid
1566931715
Sym Map
SMIT16881
Pub Chem
54498674
Tcmbank
TCMBANKIN001802
Etcm Ingredient
2,4-Nonadienic acid
Itcmdb Generated
ITX-INGREDIENT-321EA3F33C3B
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C9H14O2/c1-2-3-4-5-6-7-8-9(10)11/h5-8H,2-4H2,1H3,(H,10,11)
Mol Wt
154.209
Smiles
CCCCC=CC=CC(=O)O
Mol Log P
2.3736
Version
v1,v2
In Ch Ikey
YAWXLPDXHPHGPX-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.375
Num Hacceptors
1
Isomeric Smiles
CCCCC=CC=CC(=O)O
Canonical Smiles
CCCCC=CC=CC(=O)O
Herb Alias Names
nona-2,4-dienoic acid2,4-Nonadienic acid51109-34-3DTXSID90711779CHEBI:228973
Molecular Weight
154.100
Molecular Weight
154.21 g/mol
Molecular Formula
C9H14O2
Molecular Formula
C9H14O2
Molecular Formula
C9H14O2
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.914
Quantitative Estimate Of Drug Likeness（Qed）
0.617