Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 6Ingredient: 1Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 60435
- Core Entity Id
- 107453
- Source Entity Count
- 1
- Preferred Name
- Trans-2-Undecenal
- Name En
- Pubchem Id
- 5283356
- Smiles Canonical
- CCCCCCCCC=CC=O
- Molecular Formula
- C11H22O
- Molecular Weight
- 170.1700
- Inchikey
- PANBRUWVURLWGY-MDZDMXLPSA-N
- Inchi
- InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-11H,2-8H2,1H3/b10-9+
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 4.2000
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 8
- Drug Likeness
- Polar Surface Area
- 17.1000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Trans-2-Undecenal
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
trans-2-undecenal
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
trans-2-undecenal
Itcmdb Generated
ITX-INGREDIENT-FC86C53CF8BF
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Suppress
0
Molecular Weight
170.170
Molecular Formula
C11H22O
Fda Maximum Daily Dose (Fdamdd)
0.028
Quantitative Estimate Of Drug Likeness（Qed）
0.402