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
- 65577
- Core Entity Id
- 128226
- Source Entity Count
- 1
- Preferred Name
- (5E)-5-Octadecene
- Name En
- Pubchem Id
- 5364598
- Smiles Canonical
- CCCCCCCCCCCCC=CCCCC
- Molecular Formula
- C18H36
- Molecular Weight
- 252.2800
- Inchikey
- YIYQJOMDMPTKEL-PKNBQFBNSA-N
- Inchi
- InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h9,11H,3-8,10,12-18H2,1-2H3/b11-9+
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 9.0000
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 14
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(5E)-5-Octadecene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
(5E)-5-Octadecene
Itcmdb Generated
ITX-INGREDIENT-AEB9B0BDE424
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
252.280
Molecular Formula
C18H36
Fda Maximum Daily Dose (Fdamdd)
0.084
Quantitative Estimate Of Drug Likeness（Qed）
0.230