Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 2Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 63931
- Core Entity Id
- 110949
- Source Entity Count
- 1
- Preferred Name
- Heptaldehyde
- Name En
- Pubchem Id
- 8130
- Smiles Canonical
- CCCCCCC=O
- Molecular Formula
- C7H14O
- Molecular Weight
- 114.1000
- Inchikey
- FXHGMKSSBGDXIY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.3000
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 17.1000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Heptaldehyde
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Heptaldehyde
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Heptaldehyde
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT24393
Etcm Ingredient
Heptaldehyde
Itcmdb Generated
ITX-INGREDIENT-4B097F764D65ITX-INGREDIENT-E9614101371C
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v2
Suppress
0
Molecular Weight
114.100
Molecular Formula
C7H14O
Fda Maximum Daily Dose (Fdamdd)
0.026
Quantitative Estimate Of Drug Likeness（Qed）
0.395