Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 5Links: 10
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 72492
- Core Entity Id
- 135141
- Source Entity Count
- 1
- Preferred Name
- heptadecadienoic acid
- Name En
- Pubchem Id
- 87266713
- Smiles Canonical
- CCCCCCCCCCCCC=CC=CC(=O)O
- Molecular Formula
- C17H30O2
- Molecular Weight
- 266.2200
- Inchikey
- UINYXDFNICMOQJ-ZBMVRHCNSA-N
- Inchi
- InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h13-16H,2-12H2,1H3,(H,18,19)/b14-13+,16-15+
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 7.1000
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 13
- Drug Likeness
- Polar Surface Area
- 37.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
heptadecadienoic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
heptadecadienoic acid
Itcmdb Generated
ITX-INGREDIENT-4707FEC2880A
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
266.220
Molecular Formula
C17H30O2
Fda Maximum Daily Dose (Fdamdd)
0.893
Quantitative Estimate Of Drug Likeness（Qed）
0.353