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
- 66481
- Core Entity Id
- 129130
- Source Entity Count
- 1
- Preferred Name
- 15-Octadecenal
- Name En
- Pubchem Id
- 5367672
- Smiles Canonical
- CCC=CCCCCCCCCCCCCCC=O
- Molecular Formula
- C18H34O
- Molecular Weight
- 266.2600
- Inchikey
- CTJCPAKVYBLASZ-ONEGZZNKSA-N
- Inchi
- InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-4,18H,2,5-17H2,1H3/b4-3+
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 7.2000
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 15
- Drug Likeness
- Polar Surface Area
- 17.1000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
15-Octadecenal
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
15-Octadecenal
Itcmdb Generated
ITX-INGREDIENT-782ABCF3B5A8
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
266.260
Molecular Formula
C18H34O
Fda Maximum Daily Dose (Fdamdd)
0.027
Quantitative Estimate Of Drug Likeness（Qed）
0.195