Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 66361
- Core Entity Id
- 129010
- Source Entity Count
- 1
- Preferred Name
- 12,15-Octadecadienoic acid
- Name En
- Pubchem Id
- 53976272
- Smiles Canonical
- CCC=CCC=CCCCCCCCCCCC(=O)O
- Molecular Formula
- C19H34O2
- Molecular Weight
- 294.2600
- Inchikey
- JVDHPAUNFBGCFT-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7H,2,5,8-17H2,1H3,(H,19,20)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 6.5000
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 14
- Drug Likeness
- Polar Surface Area
- 37.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
12,15-Octadecadienoic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
12,15-Octadecadienoic acid
Itcmdb Generated
ITX-INGREDIENT-822D554BBA8A
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
294.260
Molecular Formula
C19H34O2
Fda Maximum Daily Dose (Fdamdd)
0.023
Quantitative Estimate Of Drug Likeness（Qed）
0.224