Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 7Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 71678
- Core Entity Id
- 134327
- Source Entity Count
- 1
- Preferred Name
- Docosadienoic acid
- Name En
- Pubchem Id
- 53741802
- Smiles Canonical
- CCCCCCCCCCCCCCCCCC=CC=CC(=O)O
- Molecular Formula
- C22H40O2
- Molecular Weight
- 336.3000
- Inchikey
- CVCXSNONTRFSEH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h18-21H,2-17H2,1H3,(H,23,24)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 9.8000
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 18
- Drug Likeness
- Polar Surface Area
- 37.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Docosadienoic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Docosadienoic acid
Itcmdb Generated
ITX-INGREDIENT-3E4B0CCB44B9
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
336.300
Molecular Formula
C22H40O2
Fda Maximum Daily Dose (Fdamdd)
0.880
Quantitative Estimate Of Drug Likeness（Qed）
0.208